Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T99524 | Target Info | |||
| Target Name | Trace amine-associated receptor-1 (TAAR1) | ||||
| Synonyms |
Trace amine receptor 1; TaR-1; TAAR1
Click to Show/Hide
|
||||
| Target Type | Successful Target | ||||
| Gene Name | TAAR1 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 11 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(1R)-2-[Methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3769501
Click to Show/Hide
|
||||
| Activity |
EC50 = 51600 nM
|
[1] | |||
| Compound Name |
(2S)-1-(1,3-Benzodioxol-5-yl)-N-methylpropan-2-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
(S)-Methylenedioxymethamphetamine; ZINC859; (S)-N-BoC-Isoleucinenitrile; CHEMBL195390; MDMA, R(-); SCHEMBL15162286; BDBM85332; PDSP1_001409; PDSP2_001393; (S)-3,4-Methylenedioxymethamphetamine; AKOS006293116; 142M890; 3,4 methylenedioxy-n-methylamphetamine; MDMA; Ecstasy; Q27458211; UNII-KE1SEN21RM component SHXWCVYOXRDMCX-MRVPVSSYSA-N; UNII-KE1SEN21RM component SHXWCVYOXRDMCX-QMMMGPOBSA-N
Click to Show/Hide
|
||||
| Activity |
EC50 = 73700 nM
|
[2] | |||
| Compound Name |
1-Ethyl-2-(pyrrolidin-2-yl)-1H-1,3-benzodiazole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
1-ethyl-2-pyrrolidin-2-ylbenzimidazole; CHEMBL3770673; ALBB-017601; SBB082203; STL284929; AKOS002684343; AKOS016041825; MCULE-4810523228; NE35267; T4896; EN300-61500; J3.550.617I; 1-Ethyl-2-(2-pyrrolidinyl)-1H-benzoimidazole; 1-ethyl-2-(pyrrolidin-2-yl)-1H-benzimidazole; 1-Ethyl-2-(pyrrolidin-2-yl)-1H-benzo[d]imidazole; Z1262254373; 1H-benzimidazole, 1-ethyl-2-(2-pyrrolidinyl)-, dihydrochloride
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-[(E)-(3-Phenylmethoxyphenyl)methylideneamino]guanidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3769719; AKOS016024754
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-[(E)-(3-Bromophenyl)methylideneamino]guanidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
NSC67611; SCHEMBL7743091; CHEMBL3770844; DTXSID70430158; NSC-67611; ZINC31647973
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
(1-Methyl-1h-benzimidazol-2-yl)methylamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
(1-Methyl-1H-benzo[d]imidazol-2-yl)methanamine; 1h-benzimidazole-2-methanamine, 1-methyl-; C-(1-Methyl-1H-benzoimidazol-2-yl)-methylamine; 2-(aminomethyl)-1-methylbenzimidazole; (1-methyl-1H-1,3-benzodiazol-2-yl)methanamine; (1-methylbenzimidazol-2-yl)methanamine; MFCD00457746; (R)-methyl-1H-Benzimidazole-2-methanamine; (S)-methyl-1H-Benzimidazole-2-methanamine; 1-(1-methyl-1H-benzimidazol-2-yl)methanamine; (1-methylbenzimidazol-2-yl)methylamine; BAS 00226633; F2158-1098; [(1-methyl-1H-benzimidazol-2-yl)methyl]amine hydrochloride; zlchem 48; zlchem 49; ACMC-209f5b; Oprea1_107427; Oprea1_790634; SCHEMBL2929122; CHEMBL3770328; CTK7E6895; ZLB0035; ZLB0036; ZINC307768; 2-aminomethyl-1-methylbenzimidazole; ACT06162; ACT06163; ALBB-010696; KS-00000K1F; ANW-23901; BBL001603; SBB027647; STL112793; AKOS000271245; AB06071; MCULE-4894498909; SDCCGMLS-0065928.P001; AM803465; BP-11252; SY059029; TS-02151; 1H-Benzimidazole-2-methanamine,1-methyl-; 2-(aminomethyl)-1-methyl-1h-benzimidazole; AB0048089; BB 0240965; FT-0694363; R9307; ST50212948; Y8152; C-(1-Methyl-1H-benzoimidazol-2-yl)methylamine; W-6997; W-206480; 1-(1-methyl-1H-benzimidazol-2-yl)methanamine hydrochloride
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
(2e)-2-(1,3-Benzodioxol-5-ylmethylene)hydrazinecarboximidamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1178994; HMS1607F04; BDBM50145782; STK025858; ZINC31647764; AKOS001568041; AKOS003207811; ST50183715; F0349-2045; (E)-2-(benzo[d][1,3]dioxol-5-ylmethylene)hydrazinecarboximidamide; N''-[(E)-1,3-benzodioxol-5-ylmethylidene]carbonohydrazonic diamide; ((1E)-2-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-1-azavinyl)aminocarboxamidine
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-Pyrrolidin-2-yl-benzothiazole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
2-pyrrolidin-2-yl-1,3-benzothiazole; 2-(pyrrolidin-2-yl)-1,3-benzothiazole; 2-(PYRROLIDIN-2-YL)BENZO[D]THIAZOLE; 2-pyrrolidin-2-ylbenzothiazole; F3284-8085; Oprea1_571995; SCHEMBL2636597; CHEMBL3769946; CTK5J7464; HMS3468P14; ALBB-000086; BBL013120; MFCD05262950; SBB018746; STK352025; AKOS000201632; AKOS016040150; AB21706; MCULE-2281083594; NE20298; 2-(2-pyrrolidinyl)-1,3-benzothiazole; NS-02155; DB-069286; ST4145657; 2-pyrrolidin-2-yl-benzothiazole, AldrichCPR; BB 0240417; FT-0694853; SR-01000050413; SR-01000050413-1; Z56968544; F2124-0730
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
1-Methyl-2-(piperidin-2-yl)-1H-1,3-benzodiazole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
1-methyl-2-(piperidin-2-yl)-1H-benzimidazole; CHEMBL3770994; CTK6I1643; ALBB-031464; BBL036877; STL421814; AKOS009309780; MCULE-7157319012; VS-13755; EN300-51505
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
N,N-Dimethylphenethylamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
N,N-Dimethyl-2-phenylethanamine; N,N-Dimethyl-N-phenethylamine; Dimethylphenethylamine; N,N-Dimethylphenylethylamine; N,N-Dimethyl-2-phenylethylamine; Benzeneethanamine, N,N-dimethyl-; Dimethylaminoethylbenzene; N-Phenethyldimethylamine; Dimethyl-phenethyl-amine; N,N-Dimethylbenzeneethanamine; UNII-I4C10U12C8; N,N-Dimethyl-2-phenethylamine; CHEMBL46278; I4C10U12C8; N,N-Dmpea; AF 2975; Phenethylamine, N,N-dimethyl-; N,N-Dimethyl-beta-phenethylamine; NSC 1849; phenethyldimethylamine; Phenethylamine,N-dimethyl-; Benzeneethanamine, dimethyl-; ACMC-1BS96; SCHEMBL168948; 2-dimethylamino-1-phenylethane; 2-phenylethyl-n,n-dimethylamine; Benzeneethanamine,N,N-dimethyl-; CTK4A7917; DTXSID40150114; NSC1849; N,N-dimethyl-2-phenyl-ethanamine; n,n-dimethyl-beta-phenylethylamine; N,N-Dimethylphenethylamine, 98%; N,N-dimethyl-(2-phenylethyl)amine; N,N-Dimethyl-.beta.-phenethylamine; NSC-1849; ZINC1577051; BDBM50018453; MFCD00177940; AKOS015917648; Phenethylamine, N,N-dimethyl- (8CI); Benzeneethanamine, N,N-dimethyl- (9CI); DB-041110; FT-0633374; A802628; J-002814; Q27280434
Click to Show/Hide
|
||||
| Activity |
EC50 = 100000 nM
|
[3] | |||
| Compound Name |
2-(4-Nitrophenyl)ethanamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
4-Nitrophenethylamine; Benzeneethanamine, 4-nitro-; 4-NITRO-PHENETHYLAMINE; 2-(4-nitrophenyl)ethylamine; p-nitrophenylethylamine; 4-nitrophenylethylamine; CHEMBL502343; 2-(4-nitrophenyl)ethan-1-amine; para-Nitrophenylethylamine; 2-(4-nitrophenyl)-ethylamine; NSC 21218; 4-Nitrobenzeneethanamine; Benzeneethanamine,4-nitro-; p-NITROPHENETHYLAMINE; PotassiumhydrogenDL-aspartate; Oprea1_732028; SCHEMBL335044; [2-(4-nitrophenyl)ethyl]amine; 2-(4-nitro-phenyl)-ethylamine; 2-(4-nitrophenyl)-ethyl-amine; CTK4F4691; IOXOZOPLBFXYLM-UHFFFAOYSA-; 2-(4-nitro-phenyl)-ethyl-amine; BCP28721; NSC21218; ZINC3861340; EINECS 249-980-3; 1934AB; ANW-71663; BBL009491; BDBM50262798; MFCD03095044; NSC-21218; NSC299559; SBB005875; STK390185; AKOS000299194; ACN-050374; AS07044; CS-W021414; MCULE-9183832899; NSC-299559; SB36173; 2-(4-nitrophenyl)ethanamine,hydrochloride; AK-77041; DS-16947; AB0106586; DB-002579; FT-0701536; H2975; ST50406685; EN300-50386; 43264-EP2371814A1; A817568; AG-205/01866038; J-515879
Click to Show/Hide
|
||||
| Activity |
EC50 = 167386 nM
|
[3] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 2 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
N,N-Dimethyl-2-(4-chlorophenyl)ethylamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL478846; 2-(4-chlorophenyl)-N,N-dimethylethanamine; SCHEMBL3062170; BDBM50262947; [2-(4-chlorophenyl)ethyl]dimethylamine
Click to Show/Hide
|
||||
| Activity |
EC50 = 630000 nM
|
[3] | |||
| Compound Name |
2-(4-Tert-Butylphenyl)ethylamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
2-(4-(tert-Butyl)phenyl)ethanamine; 2-(4-tert-butylphenyl)ethanamine; 2-(4-tert-butylphenyl)ethyalmine; CHEMBL474882; Benzeneethanamine, 4-(1,1-dimethylethyl)-; 2-(4-tert-butylphenyl)ethan-1-amine; 4-(tert-butyl)phenethylamine; zlchem 551; SODIUMPYROVANADATE; 4-tert-Butylphenethylamine; 4-tert-butyl-phenethylamine; Butylphenylethylamine; 97%; 2-(4-t-Buphenyl)ethylamine; SCHEMBL716077; CTK5G9796; DTXSID50370886; ZLC0416; 2-[4-(t-butyl)phenyl]ethylamine; N-(4-tert-butylbenzyl)methylamine; ACT02884; ZINC2572160; 2-(4-tert-Butyl-phenyl)-ethylamine; ANW-46324; BDBM50262760; MFCD00082596; AKOS000163315; MCULE-4041782137; NE34377; VZ23222; N-[2-[4-(t-butyl)phenyl]ethyl]amine; AS-44246; SC-46073; Benzeneethanamine,4-(1,1-dimethylethyl)-; DB-005778; FT-0642205; W9484; EN300-39256; A843977
Click to Show/Hide
|
||||
| Activity |
EC50 = 5112000 nM
|
[3] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of trace amine-associated receptor 1 ligands by molecular docking screening against a homology model. Medchemcomm. 2015;6:2216-23. | ||||
| REF 2 | Trace amine-associated receptor 1 is a stereoselective binding site for compounds in the amphetamine class. Bioorg Med Chem. 2011 Dec 1;19(23):7044-8. | ||||
| REF 3 | Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1. Bioorg Med Chem. 2008 Aug 1;16(15):7415-23. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.