Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T21945 | Target Info | |||
| Target Name | Norepinephrine transporter (NET) | ||||
| Synonyms |
Solute carrier family 6 member 2; Sodium-dependent noradrenaline transporter; SLC6A2; NET1; NET; NAT1
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|
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| Target Type | Successful Target | ||||
| Gene Name | SLC6A2 | ||||
| Biochemical Class | Neurotransmitter:sodium symporter | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 56 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Bip-tyr-thr-pro-thr(obzl)-gly
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL374492; bip-tyr-thr-pro-thr(obzl)-gly
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|
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| Activity |
IC50 = 90000 nM
|
[1] | |||
| Compound Name |
N-Cyclobutyl-2-(3,4-dichlorophenyl)cyclopent-1-enecarboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL402924; BDBM50222189
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|
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| Activity |
Ki = 50000 nM
|
[2] | |||
| Compound Name |
Methyl 2-(biphenyl-4-yl)cycloheptanecarboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL231684; BDBM50211020
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|
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| Activity |
Ki = 51000 nM
|
[3] | |||
| Compound Name |
[5-(5-Fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL457967; SCHEMBL2689110; BDBM50276512; 2-Aminomethyl-5-(2''-methoxy-5''-fluorophenyl)tetrahydrofuran
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|
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| Activity |
Ki = 57020 nM
|
[4] | |||
| Compound Name |
3-(Benzhydrylsulfinylmethyl)thiophene
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4067474; BDBM50250552
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|
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| Activity |
IC50 = 57600 nM
|
[5] | |||
| Compound Name |
N-Ethyl-2-piperidin-1-yl-N-{2-[2-(trifluoromethoxy)phenyl]-ethyl}ethanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL498774; BDBM50261130
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|
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| Activity |
Ki = 58100 nM
|
[6] | |||
| Compound Name |
Furan-2-ylmethyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL248825; BDBM50222187
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|
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| Activity |
Ki = 61000 nM
|
[2] | |||
| Compound Name |
Methyl 2-(4-tert-butylphenyl)cyclohept-1-enecarboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232663; BDBM50211015
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|
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| Activity |
Ki = 62000 nM
|
[3] | |||
| Compound Name |
3-(2-Bromo-9H-fluoren-9-yl)-8-methyl-8-aza-bicyclo[3.2.1]octan-3-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL199598; BDBM50174846
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|
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| Activity |
IC50 = 62600 nM
|
[7] | |||
| Compound Name |
3-Biphenyl-2-yl-8-methyl-8-aza-bicyclo[3.2.1]octan-3-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL200473; BDBM50174851
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|
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| Activity |
IC50 = 66300 nM
|
[7] | |||
| Compound Name |
4-(Benzhydrylsulfinylmethyl)-2-bromothiophene
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4076722; BDBM50250555
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|
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| Activity |
IC50 = 67200 nM
|
[5] | |||
| Compound Name |
N,N-Dimethyl(2-(naphthalen-1-yl)cyclopropyl)methanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL399147; BDBM50220651
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|
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| Activity |
IC50 = 68000 nM
|
[8] | |||
| Compound Name |
Methyl 2-(naphthalen-2-yl)cyclohept-1-enecarboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL434959; BDBM50211021
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|
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| Activity |
Ki = 68000 nM
|
[3] | |||
| Compound Name |
2-(Benzhydrylsulfinylmethyl)-5-chlorothiophene
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4104150; BDBM50250540
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|
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| Activity |
IC50 = 68400 nM
|
[5] | |||
| Compound Name |
5-(Benzhydrylsulfinylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4103476; BDBM50250538
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|
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| Activity |
IC50 = 71000 nM
|
[5] | |||
| Compound Name |
[(2R,5R)-5-(5-Fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL442843; BDBM50276511; trans-2-Aminomethyl-5-(2''-methoxy-5''-fluorophenyl)tetrahydrofuran
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|
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| Activity |
Ki = 71990 nM
|
[4] | |||
| Compound Name |
3-alpha-(4-Methylphenyl)-2-beta-(3,4-dimethoxyphenyl)tropane
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL388825; BDBM50177111
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|
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| Activity |
IC50 = 78000 nM
|
[9] | |||
| Compound Name |
Methyl 2-(naphthalen-2-yl)cyclohex-1-enecarboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232068; BDBM50211045
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|
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| Activity |
Ki = 81000 nM
|
[3] | |||
| Compound Name |
3-(9H-Fluoren-9-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL201223; BDBM50174843; 3-(9H-fluoren-9-yl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-ene
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|
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| Activity |
IC50 = 82700 nM
|
[7] | |||
| Compound Name |
Methyl 2-(4-chlorophenyl)cyclohept-1-enecarboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL398009; SCHEMBL1957762; BDBM50211037; ZINC28714398; methyl 2-(4-chlorophenyl)cycloheptene-1-carboxylate
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|
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| Activity |
Ki = 84000 nM
|
[3] | |||
| Compound Name |
Methyl 2-(3-chlorophenyl)cyclohept-1-enecarboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL396318; BDBM50211013
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|
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| Activity |
Ki = 85000 nM
|
[3] | |||
| Compound Name |
Phenyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL401071; BDBM50222188
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|
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| Activity |
Ki = 85000 nM
|
[2] | |||
| Compound Name |
5-(Benzhydrylsulfinylmethyl)-3H-1,3,4-thiadiazol-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4067086; BDBM50250561
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|
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| Activity |
IC50 = 85700 nM
|
[5] | |||
| Compound Name |
Methyl 2-(4-tert-butylphenyl)cycloheptanecarboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL234379; BDBM50211040
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|
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| Activity |
Ki = 94000 nM
|
[3] | |||
| Compound Name |
4-Hydroxy Duloxetine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL332097; CTK8E8514; DTXSID40652603; BDBM50148379; ZINC22060628; AKOS030240794; 4-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naphthalen-1-ol; 4-[(1S)-3-(Methylamino)-1-(thiophen-2-yl)propoxy]naphthalen-1-ol
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|
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| Activity |
Ki = 97100 nM
|
[10] | |||
| Compound Name |
4-Methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
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|
Investigative | Compound Info | ||
| Synonyms |
GSK137647A; GSK 137647; GSK-137647A; N-mesityl-4-methoxybenzenesulfonamide; CHEMBL3311308; MFCD02007969; 4-methoxy-N-(2,4,6-trimethylphenyl)-benzenesulfonamide; CBMicro_012617; Oprea1_349531; Oprea1_545891; SCHEMBL19357604; KS-00000TIW; AOB2991; ZINC184126; BCP17136; EX-A1097; GSK 137647A; SMSF0014079; BDBM50044849; STK899558; AKOS003261220; CB15818; CS-5549; GSK-137647; MCULE-5583867808; N-mesityl-4-methoxy-1-benzenesulfonamide; NCGC00387253-02; NCGC00387253-05; AK240703; AS-16737; HY-19995; BIM-0012523.P001; FFA4 (GPR120) agonist GSK137647A; B7793; EU-0076636; FT-0700296; S0001; ST50719559; GSK137647A, >=98% (HPLC); A14542; AJ-292/14925630; SR-01000478738; J-690285; SR-01000478738-1; [(4-methoxyphenyl)sulfonyl](2,4,6-trimethylphenyl)amine; 4-methoxy-N-(2,4,6-trimethylphenyl)benzene-1-sulfonamide; 4-Methoxy-N-(2,4,6-triMethylphenyl)benzenesulfonaMide, 97%
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|
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| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
(cis)-2-(5-Bromopentyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL463431; SCHEMBL6484725; BDBM50304392; cis-(+/-)-2-(5-Bromo-pentyl)-4-(3,4-dimethoxy-phenyl-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
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|
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| Activity |
IC50 ~ 100000 nM
|
[12] | |||
| Compound Name |
N-Ethyl-2-pyrrolidin-1-yl-N-{2-[2-(trifluoromethoxy)phenyl]-ethyl}ethanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL445977; BDBM50261086
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|
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| Activity |
Ki ~ 100000 nM
|
[6] | |||
| Compound Name |
(2S,3S)-2-(4-Methoxyphenyl)-3,5,5-trimethylmorpholin-2-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173355; SCHEMBL15007923; BDBM50322521
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|
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| Activity |
IC50 ~ 100000 nM
|
[13] | |||
| Compound Name |
N-Methyl-2-piperidin-1-yl-N-{2-[4-(trifluoromethoxy)phenyl]-ethyl}ethanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL498564; BDBM50261083
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|
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| Activity |
Ki ~ 100000 nM
|
[6] | |||
| Compound Name |
2-[(1R)-3-Amino-1-(1,2-oxazol-5-yl)propoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile;oxalic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1762481
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|
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| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
(cis)-4-(3,4-Dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL440878; SCHEMBL4117302; BDBM50304391; ZINC13474130; 4abeta,5,8,8abeta-Tetrahydro-1-(3,4-dimethoxyphenyl)phthalazine-4(3H)-one; cis-4-(3,4-Dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2Hphthalazin-1-one; (4aS,8aR)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one; (4as,8ar)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1(2h)-one; cis-(+/-)-4-(3,4-Dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one
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|
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| Activity |
IC50 ~ 100000 nM
|
[12] | |||
| Compound Name |
N-Methyl-2-pyrrolidin-1-yl-N-{2-[2-(trifluoromethoxy)phenyl]-ethyl}ethanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL498565; BDBM50261085
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|
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| Activity |
Ki ~ 100000 nM
|
[6] | |||
| Compound Name |
N-Ethyl-2-piperidin-1-yl-N-{2-[4-(trifluoromethoxy)phenyl]-ethyl}ethanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL526849; SCHEMBL467267; BDBM50261084; N-ethyl-N-(2-piperidin-1-ylethyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
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|
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| Activity |
Ki ~ 100000 nM
|
[6] | |||
| Compound Name |
(cis)-4-(3,4-Dimethoxyphenyl)-2-(5-((S)-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propylamino)pentyl)-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL596185; BDBM50304390
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|
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| Activity |
Ki ~ 100000 nM
|
[12] | |||
| Compound Name |
N-(4-(Trifluoromethoxy)phenethyl)-N-methyl-2-(pyrrolidin-1-yl)ethanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL493369; BDBM50260602
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|
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| Activity |
Ki ~ 100000 nM
|
[6] | |||
| Compound Name |
3,5,5-Trimethyl-2-(pyridin-3-yl)morpholin-2-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1173599; SCHEMBL2599164; BDBM50322509; 3,5,5-trimethyl-2-pyridin-3-ylmorpholin-2-ol; (+/-)3,5,5-Trimethyl-2-(pyridin-3-yl)morpholin-2-ol
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|
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| Activity |
IC50 ~ 100000 nM
|
[13] | |||
| Compound Name |
m-Tolyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL248824; BDBM50222179
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|
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| Activity |
Ki ~ 100000 nM
|
[2] | |||
| Compound Name |
4-(3,4-Dimethoxy-phenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL313041; phthalazinone, 19; SCHEMBL2690038; BDBM30126; 4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2h-phthalazin-1-one
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|
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| Activity |
Ki ~ 100000 nM
|
[15] | |||
| Compound Name |
2-(5-Bromo-pentyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL480988; phthalazinone, 20; SCHEMBL2693531; BDBM30127; 2-(5-bromopentyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
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|
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| Activity |
IC50 ~ 100000 nM
|
[16] | |||
| Compound Name |
N-Ethyl-2-pyrrolidin-1-yl-N-{2-[4-(trifluoromethoxy)phenyl]-ethyl}ethanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL498566; BDBM50261082
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|
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| Activity |
Ki ~ 100000 nM
|
[6] | |||
| Compound Name |
3-(2-((Dimethylamino)methyl)cyclopropyl)-1H-indazole-5-carbonitrile
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL251576; SCHEMBL6627825; BDBM50220655; 3-[2-[(dimethylamino)methyl]cyclopropyl]-2H-indazole-5-carbonitrile
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|
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
N-Methyl-2-piperidin-1-yl-N-{2-[2-(trifluoromethoxy)phenyl]-ethyl}ethanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL497338; BDBM50261087
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|
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| Activity |
Ki ~ 100000 nM
|
[6] | |||
| Compound Name |
Methyl 2-(4-nitrophenyl)cyclopent-1-enecarboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232675; BDBM50211047
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|
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| Activity |
Ki = 111000 nM
|
[3] | |||
| Compound Name |
2-[Bis(4-fluorophenyl)methylsulfinylmethyl]thiophene
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4068156; BDBM50250543
Click to Show/Hide
|
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| Activity |
IC50 = 112600 nM
|
[5] | |||
| Compound Name |
Methyl 2-(3-nitrophenyl)cyclohexene-1-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232879; BDBM50211016
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| Activity |
Ki = 121000 nM
|
[3] | |||
| Compound Name |
O-Methylcorypalline
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Investigative | Compound Info | ||
| Synonyms |
N-Methylheliamine; 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline; 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methylisoquinoline; ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-; N-Methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-; 6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE; CHEMBL555787; BRN 0011592; N-Methyl-corypalline; NSC280726; 5-21-04-00479 (Beilstein Handbook Reference); SCHEMBL5525085; CHEMBL1196025; CTK4D2283; DTXSID90168082; ZINC391550; BDBM50014648; AKOS015872575; MCULE-1979767083; NSC-280726; DS-011314; ST50405883; 3,4-dihydro-6,7-dimethoxy-2-methyl-isoquinoline; AE-508/40920516; 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-Isoquinoline; 1,2,3,4-Tetrahydroisoquinoline, 6,7-dimethoxy-N-methyl-; 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline #
Click to Show/Hide
|
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| Activity |
Ki = 128900 nM
|
[17] | |||
| Compound Name |
Cyclohexyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL399430; BDBM50222190
Click to Show/Hide
|
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| Activity |
Ki = 130000 nM
|
[2] | |||
| Compound Name |
3-(Benzhydrylsulfinylmethyl)-2-bromothiophene
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4088715; BDBM50250539
Click to Show/Hide
|
||||
| Activity |
IC50 = 144200 nM
|
[5] | |||
| Compound Name |
5-(Benzhydrylsulfinylmethyl)-2-methoxy-2,3-dihydro-1,3,4-thiadiazole
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4085703; BDBM50250544
Click to Show/Hide
|
||||
| Activity |
IC50 = 145800 nM
|
[5] | |||
| Compound Name |
(1S,5R)-N-[Bis(4-fluorophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3085019; CHEMBL3350391
Click to Show/Hide
|
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| Activity |
Ki = 152000 nM
|
[18] | |||
| Compound Name |
2-[[(4-Methylphenyl)-phenylmethyl]sulfinylmethyl]thiophene
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4064788; BDBM50250542
Click to Show/Hide
|
||||
| Activity |
IC50 = 152500 nM
|
[5] | |||
| Compound Name |
3-(9H-Fluoren-9-yl)-8-methyl-8-aza-bicyclo[3.2.1]octan-3-ol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL382955; BDBM50174848
Click to Show/Hide
|
||||
| Activity |
IC50 = 158000 nM
|
[7] | |||
| Compound Name |
2,2,2-Trifluoroethyl 2-(3,4-dichlorophenyl)cyclopent-1-enecarboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL249215; BDBM50222177
Click to Show/Hide
|
||||
| Activity |
Ki = 170000 nM
|
[2] | |||
| Compound Name |
Methyl 2-(4-chlorophenyl)cyclopent-1-enecarboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL394585; SCHEMBL21335107; BDBM50211027; methyl 2-(4-chlorophenyl)cyclopentene-1-carboxylate
Click to Show/Hide
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||||
| Activity |
Ki = 178000 nM
|
[3] | |||
| Compound Name |
2-(Benzhydrylsulfinylmethyl)-3-chlorothiophene
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4078378; BDBM50250553
Click to Show/Hide
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||||
| Activity |
IC50 = 188100 nM
|
[5] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 42 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Modafinil
Click to Show/Hide
|
Approved | Compound Info | ||
| Synonyms |
Provigil; Modiodal
Click to Show/Hide
|
||||
| Activity |
IC50 = 283600 nM
|
[5] | |||
| Compound Name |
Citalopram derivative 1
Click to Show/Hide
|
Patented | Compound Info | ||
| Synonyms |
PMID29334795-Compound-59
Click to Show/Hide
|
||||
| Activity |
Ki > 1000000 nM
|
[19] | |||
| Compound Name |
(-)-cubebin
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Cubebin; (-)-Cubebin; 18423-69-3; beta-cubebin; UNII-J237078S8A; (2s,3r,4r)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-ol; EINECS 242-300-6; Tetrahydro-3,4-dipiperonylfuran-2-ol; (8R,8'R,9S)-cubebin; AI3-62265; CHEMBL399831; CHEBI:65684; J237078S8A; 2-Furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-; Cubebine; 9-Hydroxy-3,4:3',4'-bis(methylenedioxy)-9,9'-epoxylignan; 3,4-bis(2H-1,3-benzodioxol-5-ylmethyl)oxolan-2-ol; .beta.-Cubebin; 2-Furanol, tetrahydro-3,4-dipiperonyl-; AC1Q59VI; AC1L3KW2; SCHEMBL4884683
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[20] | |||
| Compound Name |
Bip-tyr-thr-pro-lys-thr
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL379496; bip-tyr-thr-pro-lys-thr
Click to Show/Hide
|
||||
| Activity |
IC50 > 1000000 nM
|
[1] | |||
| Compound Name |
2-(3,4-Dichlorophenyl)-N,N-diethylcyclopent-1-enecarboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL250008; BDBM50222174
Click to Show/Hide
|
||||
| Activity |
Ki = 210000 nM
|
[2] | |||
| Compound Name |
Methyl 2-(biphenyl-4-yl)cyclohex-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232069; BDBM50211022; 2-biphenyl-4-yl-cyclohex-1-enecarboxylic acid methyl ester
Click to Show/Hide
|
||||
| Activity |
Ki = 215000 nM
|
[3] | |||
| Compound Name |
2-(Benzhydrylsulfinylmethyl)-4-methoxy-6-methylpyrimidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4071524; BDBM50250550
Click to Show/Hide
|
||||
| Activity |
IC50 = 227500 nM
|
[5] | |||
| Compound Name |
1-Methoxy-5-((S)-3-methylamino-1-thiophen-2-yl-propoxy)-naphthalen-2-ol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL325669; BDBM50148369
Click to Show/Hide
|
||||
| Activity |
Ki = 235500 nM
|
[10] | |||
| Compound Name |
Methyl 2-(4-acetylphenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232867; BDBM50211030
Click to Show/Hide
|
||||
| Activity |
Ki = 240000 nM
|
[3] | |||
| Compound Name |
Methyl 2-(3-aminophenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232674; BDBM50211010
Click to Show/Hide
|
||||
| Activity |
Ki = 247000 nM
|
[3] | |||
| Compound Name |
2-(3,4-Dichlorophenyl)-N-methoxy-N-methylcyclopent-1-enecarboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL249213; BDBM50222192
Click to Show/Hide
|
||||
| Activity |
Ki = 250000 nM
|
[2] | |||
| Compound Name |
1,2-Dichloro-4-(2-(prop-1-enyl)cyclohex-1-enyl)benzene
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232498; BDBM50211002
Click to Show/Hide
|
||||
| Activity |
Ki = 255000 nM
|
[3] | |||
| Compound Name |
Methyl 2-(3-chlorophenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232671; TQR0705; BDBM50211032
Click to Show/Hide
|
||||
| Activity |
Ki = 285000 nM
|
[3] | |||
| Compound Name |
(2-(3,4-Dichlorophenyl)cyclopent-1-enyl)(morpholino)methanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL250000; BDBM50222180
Click to Show/Hide
|
||||
| Activity |
Ki = 300000 nM
|
[2] | |||
| Compound Name |
Methyl 2-(4-chlorophenyl)cyclohex-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232870; BDBM50211008
Click to Show/Hide
|
||||
| Activity |
Ki = 314000 nM
|
[3] | |||
| Compound Name |
Methyl 2-(3-chlorophenyl)cyclohex-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL231858; BDBM50211024
Click to Show/Hide
|
||||
| Activity |
Ki = 339000 nM
|
[3] | |||
| Compound Name |
(2-(3,4-Dichlorophenyl)cyclopent-1-enyl)(pyrrolidin-1-yl)methanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL249807; BDBM50222181
Click to Show/Hide
|
||||
| Activity |
Ki = 410000 nM
|
[2] | |||
| Compound Name |
Methyl 2-(4-(trifluoromethyl)phenyl)cyclohexanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL394373; BDBM50211012
Click to Show/Hide
|
||||
| Activity |
Ki = 439000 nM
|
[3] | |||
| Compound Name |
Methyl 2-(4-hydroxyphenyl)cyclohex-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL395649; BDBM50211009
Click to Show/Hide
|
||||
| Activity |
Ki = 499000 nM
|
[3] | |||
| Compound Name |
Methyl 2-(4-methoxyphenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232672; TQR0703; BDBM50211039; 2-(4-Methoxyphenyl)-1-cyclopentene-1-carboxylic acid methyl ester
Click to Show/Hide
|
||||
| Activity |
Ki = 550000 nM
|
[3] | |||
| Compound Name |
5-[(1S)-3-(Methylamino)-1-(thiophen-2-yl)propoxy]naphthalene-1,2-diol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL326713; CTK2G1542; DTXSID90658352; BDBM50148373; 1,2-Naphthalenediol, 5-[(1S)-3-(methylamino)-1-(2-thienyl)propoxy]-; 5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naphthalene-1,2-diol
Click to Show/Hide
|
||||
| Activity |
Ki = 554000 nM
|
[10] | |||
| Compound Name |
Methyl 2-(biphenyl-4-yl)cyclohexanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL233532; BDBM50211028
Click to Show/Hide
|
||||
| Activity |
Ki = 658000 nM
|
[3] | |||
| Compound Name |
Methyl 2-(4-tert-butylphenyl)cyclohexanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL394089; BDBM50211007
Click to Show/Hide
|
||||
| Activity |
Ki = 675000 nM
|
[3] | |||
| Compound Name |
Methyl 2-(4-(trifluoromethoxy)phenyl)cyclohexanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL442234; BDBM50211033
Click to Show/Hide
|
||||
| Activity |
Ki = 719000 nM
|
[3] | |||
| Compound Name |
4-(Benzhydrylsulfinylmethyl)-2,6-dimethylpyrimidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4105083; BDBM50250563
Click to Show/Hide
|
||||
| Activity |
IC50 = 767500 nM
|
[5] | |||
| Compound Name |
Methyl 2-(4-tert-butylphenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL396083; BDBM50211014
Click to Show/Hide
|
||||
| Activity |
Ki = 789000 nM
|
[3] | |||
| Compound Name |
5-Hydroxy-6-methoxy Duloxetine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
UNII-B18NZM26WW; B18NZM26WW; CHEMBL119605; CTK8E8516; DTXSID00225135; 5-Hydroxy-6-methoxy (S)-duloxetine; BDBM50148378; ZINC22060783; 1-Naphthalenol, 2-methoxy-5-((1S)-3-(methylamino)-1-(2-thienyl)propoxy)-; AKOS030242920; Q27274248; 2-Methoxy-5-((S)-3-methylamino-1-thiophen-2-yl-propoxy)-naphthalen-1-ol
Click to Show/Hide
|
||||
| Activity |
Ki = 920000 nM
|
[10] | |||
| Compound Name |
Methyl 2-(3-(trifluoromethyl)phenyl)cyclohexanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL393701; BDBM50211018
Click to Show/Hide
|
||||
| Activity |
Ki = 991000 nM
|
[3] | |||
| Compound Name |
Methyl 2-(4-tert-butylphenyl)cyclohex-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232070; BDBM50211036
Click to Show/Hide
|
||||
| Activity |
Ki = 1100000 nM
|
[3] | |||
| Compound Name |
Methyl 2-phenylcyclohexanecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL233530; BDBM50211043
Click to Show/Hide
|
||||
| Activity |
Ki = 1360000 nM
|
[3] | |||
| Compound Name |
Methyl 2-(4-(trifluoromethyl)phenyl)cyclohex-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL438321; BDBM50211004; 2-[4-(Trifluoromethyl)phenyl]-1-cyclohexene-1-carboxylic acid methyl ester
Click to Show/Hide
|
||||
| Activity |
Ki = 2020000 nM
|
[3] | |||
| Compound Name |
Methyl 2-(3-(trifluoromethyl)phenyl)cyclohex-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL234128; BDBM50211025
Click to Show/Hide
|
||||
| Activity |
Ki = 2110000 nM
|
[3] | |||
| Compound Name |
Methyl 2-phenylcyclohexene-1-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL234127; BDBM50211034
Click to Show/Hide
|
||||
| Activity |
Ki = 2500000 nM
|
[3] | |||
| Compound Name |
Methyl 2-(4-(trifluoromethoxy)phenyl)cyclohex-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL397520; BDBM50211044
Click to Show/Hide
|
||||
| Activity |
Ki = 2540000 nM
|
[3] | |||
| Compound Name |
Methyl 2-(4-(trifluoromethoxy)phenyl)cyclopent-1-enecarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL232866; BDBM50211038
Click to Show/Hide
|
||||
| Activity |
Ki = 2884000 nM
|
[3] | |||
| Compound Name |
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-yl]oxyoxane-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2029052; BDBM50451958
Click to Show/Hide
|
||||
| Activity |
Ki = 5454000 nM
|
[10] | |||
| Compound Name |
Ethyl (1S,2R,3S,4R,5S)-4-[2-[2-(5-chlorothiophen-2-yl)ethynyl]-6-(methylamino)purin-9-yl]-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4093756; BDBM50236796
Click to Show/Hide
|
||||
| Activity |
EC50 > 8400000 nM
|
[21] | |||
| Compound Name |
(2S,3S,4S,5R,6S)-6-[1-[(2S,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2029054; BDBM50451956
Click to Show/Hide
|
||||
| Activity |
Ki > 10000000 nM
|
[10] | |||
| Compound Name |
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[2-methoxy-5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-1-yl]oxyoxane-2-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2029055; BDBM50451955
Click to Show/Hide
|
||||
| Activity |
Ki > 10000000 nM
|
[10] | |||
| Compound Name |
4-Hydroxy Duloxetine b-D-Glucuronide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
UNII-GF5FP4W1EJ; GF5FP4W1EJ; CHEMBL2029053; 4-Hydroxyduloxetine glucuronide; Duloxetine 4-hydroxyglucuronide; 4-Hydroxy duloxetine glucuronide; BDBM50451957; ZINC22060640; LY-550408; 4-Hydroxy Duloxetine beta-D-Glucuronide Sodium Salt
Click to Show/Hide
|
||||
| Activity |
Ki > 10000000 nM
|
[10] | |||
| Compound Name |
(RR/SS)-2-[1-(4-chlorophenyl)-2-methylpropyl]piperidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL218848; BDBM50202401; (RS/SR)-2-[1-(4-chlorophenyl)-2-methylpropyl]piperidine
Click to Show/Hide
|
||||
| Activity |
Ki > 10000000 nM
|
[22] | |||
| Compound Name |
Sodium 2-methoxy-5-[(1S)-3-(methylamino)-1-(thiophen-2-yl)propoxy]naphthalen-1-yl sulfate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL420142; DTXSID30658351; sodium;[2-methoxy-5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-1-yl] sulfate
Click to Show/Hide
|
||||
| Activity |
Ki > 10000000 nM
|
[10] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Development of peptidic dopamine transporter inhibitors via aromatic modification-mediated conformational restriction. J Med Chem. 2006 Jul 13;49(14):4048-51. | ||||
| REF 2 | High dopamine transporter selectivity can be displayed by remarkably simple non-nitrogen containing inhibitors. Bioorg Med Chem Lett. 2007 Nov 1;17(21):6019-25. | ||||
| REF 3 | Synthesis, inhibition and binding of simple non-nitrogen inhibitors of monoamine transporters. Bioorg Med Chem. 2007 Jun 15;15(12):4159-74. | ||||
| REF 4 | 2,5-Disubstituted tetrahydrofurans as selective serotonin re-uptake inhibitors. Bioorg Med Chem. 2009 Mar 1;17(5):2047-68. | ||||
| REF 5 | Heterocyclic Analogues of Modafinil as Novel, Atypical Dopamine Transporter Inhibitors. J Med Chem. 2017 Nov 22;60(22):9330-9348. | ||||
| REF 6 | Trifluoromethoxyl substituted phenylethylene diamines as high affinity sigma receptor ligands with potent anti-cocaine actions. J Med Chem. 2008 Jun 12;51(11):3322-5. | ||||
| REF 7 | Synthesis and monoamine transporter affinity of 3-aryl substituted trop-2-enes. Bioorg Med Chem Lett. 2005 Dec 15;15(24):5488-93. | ||||
| REF 8 | Conformationally restricted homotryptamines. Part 4: Heterocyclic and naphthyl analogs of a potent selective serotonin reuptake inhibitor. Bioorg Med Chem Lett. 2007 Oct 15;17(20):5647-51. | ||||
| REF 9 | Synthesis and monoamine transporter binding properties of 2,3-diaryltropanes. J Med Chem. 2005 Nov 17;48(23):7437-44. | ||||
| REF 10 | Synthesis and biological activity of some known and putative duloxetine metabolites. Bioorg Med Chem Lett. 2004 Jul 5;14(13):3481-6. | ||||
| REF 11 | Identification of diarylsulfonamides as agonists of the free fatty acid receptor 4 (FFA4/GPR120). Bioorg Med Chem Lett. 2014 Jul 15;24(14):3100-3. | ||||
| REF 12 | Inhibition of serotonin and norepinephrine reuptake and inhibition of phosphodiesterase by multi-target inhibitors as potential agents for depression. Bioorg Med Chem. 2009 Oct 1;17(19):6890-7. | ||||
| REF 13 | Synthesis and characterization of in vitro and in vivo profiles of hydroxybupropion analogues: aids to smoking cessation. J Med Chem. 2010 Jun 24;53(12):4731-48. | ||||
| REF 14 | The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS). Bioorg Med Chem Lett. 2011 Apr 15;21(8):2468-71. | ||||
| REF 15 | Dual inhibitors of phosphodiesterase-4 and serotonin reuptake. J Med Chem. 2009 Mar 26;52(6):1530-9. | ||||
| REF 16 | Stereoselective inhibition of serotonin re-uptake and phosphodiesterase by dual inhibitors as potential agents for depression. Bioorg Med Chem. 2009 Jan 1;17(1):337-43. | ||||
| REF 17 | Design, synthesis, and biological evaluation of Erythrina alkaloid analogues as neuronal nicotinic acetylcholine receptor antagonists. J Med Chem. 2013 Dec 12;56(23):9673-82. | ||||
| REF 18 | N-8-Substituted benztropinamine analogs as selective dopamine transporter ligands. Bioorg Med Chem Lett. 2005 Dec 15;15(24):5419-23. | ||||
| REF 19 | A rhodamine-labeled citalopram analogue as a high-affinity fluorescent probe for the serotonin transporter. Bioorg Med Chem Lett. 2013 Jan 1;23(1):323-6. | ||||
| REF 20 | The lignan (-)-hinokinin displays modulatory effects on human monoamine and GABA transporter activities. J Nat Prod. 2013 Oct 25;76(10):1889-95. | ||||
| REF 21 | Scaffold Repurposing of Nucleosides (Adenosine Receptor Agonists): Enhanced Activity at the Human Dopamine and Norepinephrine Sodium Symporters. J Med Chem. 2017 Apr 13;60(7):3109-3123. | ||||
| REF 22 | Slow-onset, long-duration, alkyl analogues of methylphenidate with enhanced selectivity for the dopamine transporter. J Med Chem. 2007 Jan 25;50(2):219-32. | ||||
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