Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T82514 | Target Info | |||
| Target Name | Neurokinin receptor (NKR) | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | NO-GeName | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 60 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Talnetant
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|
Phase 2 | Compound Info | ||
| Synonyms |
Talnetant [INN]; SB 223412; SB-223412; N-((S)-alpha-Ethylbenzyl)-3-hydroxy-2-phenylcinchoninamide;N-(alpha-Ethylbenzyl)-3-hydroxy-2-phenylquinoline-4-carboxamide; 3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
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| Activity | Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[1] | ||
| Compound Name |
SB222200
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|
Preclinical | Compound Info | ||
| Synonyms |
S 5192; SB 222200; SB-222200; N-(alpha-ethylbenzyl)-3-methyl-2-phenylquinoline-4-carboxamide; (S)-3-Methyl-2-phenyl-N-(1-phenylpropyl)-4-quinolinecarboxamide; 3-methyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
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| Activity | Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[1] | ||
| Compound Name |
N-Benzhydryl-1-[(2-methoxybenzyl)carbamoyl]-L-prolinamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL105813; BDBM50066226; (S)-Pyrrolidine-1,2-dicarboxylic acid 2-benzhydryl-amide 1-(2-methoxy-benzylamide)
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| Activity | Neurokinin receptor 1 |
IC50 ~ 50000 nM
|
[2] | ||
| Compound Name |
(2S)-N-[(2S)-1-Amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[(2R,5S,8R)-5,8-dibenzyl-2-[3-(diaminomethylideneamino)propyl]-3,6,9,15,20-pentaoxo-1,4,7,10,14-pentazacycloicos-10-yl]acetyl]amino]-4-methylpentanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL302349; BDBM50030211
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|
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| Activity | Neurokinin receptor 2 |
EC50 ~ 50000 nM
|
[3] | ||
| Compound Name |
(2S)-N-Benzhydryl-1-[N-cyano-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]pyrrolidine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL323270; BDBM50066232; 1-[N-(2-Methoxy-benzyl)-N''-cyano-carbamimidoyl]-pyrrolidine-2-carboxylic acid benzhydryl-amide
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| Activity | Neurokinin receptor 1 |
IC50 ~ 50000 nM
|
[2] | ||
| Compound Name |
(2R)-N-Benzhydryl-1-[[4-(2-methylsulfanylethylsulfamoyl)-2-nitroanilino]carbamothioyl]pyrrolidine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL351059; (2R)-N-Benzhydryl-1-[2-[2-nitro-4-[2-(methylthio)ethylsulfamoyl]phenyl]hydrazinocarbonothioyl]pyrrolidine-2-carboxamide
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| Activity | Neurokinin receptor 1 |
IC50 ~ 50000 nM
|
[4] | ||
| Compound Name |
6-Chloro-3-(4-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)quinoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL468176; BDBM50261729
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|
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| Activity | Neurokinin receptor 1 |
IC50 ~ 50000 nM
|
[5] | ||
| Compound Name |
(2S)-N-[(2S)-1-Amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[(6R,9S,12R)-6,9-dibenzyl-12-[3-(diaminomethylideneamino)propyl]-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicos-4-yl]acetyl]amino]-4-methylpentanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL304752; BDBM50030214
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| Activity | Neurokinin receptor 2 |
EC50 ~ 50000 nM
|
[3] | ||
| Compound Name |
(S)-2-(Benzhydryl-carbamoyl)-pyrrolidine-1-carboxylic acid 2-methoxy-benzyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL320359; BDBM50066244
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|
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| Activity | Neurokinin receptor 1 |
IC50 ~ 50000 nM
|
[2] | ||
| Compound Name |
(2S)-N-(1,3-Diphenylpropan-2-yl)-1-[(2-methoxyphenyl)methylcarbamothioyl]pyrrolidine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL109168; BDBM50066207; (S)-1-(2-Methoxy-benzylthiocarbamoyl)-pyrrolidine-2-carboxylic acid (1-benzyl-2-phenyl-ethyl)-amide
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| Activity | Neurokinin receptor 1 |
IC50 ~ 50000 nM
|
[2] | ||
| Compound Name |
N-Benzhydryl-1-[(2-aminobenzyl)thiocarbamoyl]-L-prolinamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL324431; BDBM50066201; (S)-1-(2-Amino-benzylthiocarbamoyl)-pyrrolidine-2-carboxylic acid benzhydryl-amide
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|
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| Activity | Neurokinin receptor 1 |
IC50 ~ 50000 nM
|
[2] | ||
| Compound Name |
(S)-1-(2-Methoxy-benzylthiocarbamoyl)-pyrrolidine-2-carboxylic acid dibenzylamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL322729; BDBM50066246
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|
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| Activity | Neurokinin receptor 1 |
IC50 ~ 50000 nM
|
[2] | ||
| Compound Name |
(2S)-N-[(2S)-1-Amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[(2R,5S,8R)-5,8-dibenzyl-2-[3-(diaminomethylideneamino)propyl]-3,6,9,15,18-pentaoxo-1,4,7,10,14-pentazacyclooctadec-10-yl]acetyl]amino]-4-methylpentanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL421485; BDBM50030212
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|
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| Activity | Neurokinin receptor 2 |
EC50 ~ 50000 nM
|
[3] | ||
| Compound Name |
(2S)-N-[(2S)-1-Amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[(2R,5S,8R)-5,8-dibenzyl-2-[3-(diaminomethylideneamino)propyl]-3,6,9,15,19-pentaoxo-1,4,7,10,14-pentazacyclononadec-10-yl]acetyl]amino]-4-methylpentanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL303222; BDBM50030213
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|
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| Activity | Neurokinin receptor 2 |
EC50 ~ 50000 nM
|
[3] | ||
| Compound Name |
(2R)-N-Benzhydryl-1-[(2-nitroanilino)carbamothioyl]pyrrolidine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL164361; (2R)-N-Benzhydryl-1-[2-(2-nitrophenyl)hydrazinocarbonothioyl]pyrrolidine-2-carboxamide
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| Activity | Neurokinin receptor 1 |
IC50 ~ 50000 nM
|
[4] | ||
| 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 | Neurokinin receptor 1 |
IC50 ~ 50118.72 nM
|
[6] | ||
| Compound Name |
(1R,4S,7S,9R)-4-Benzyl-9-[(2-methoxy-5-nitrophenyl)methyl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL339444; BDBM50286406
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|
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| Activity | Neurokinin receptor 1 |
IC50 = 54000 nM
|
[7] | ||
| Compound Name |
(4S)-4-(3-Ethoxy-4-hydroxy-5-nitrophenyl)-5-phenyl-6-pyridin-3-yl-3,4-dihydro-1H-pyrimidin-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL1516350; CHEMBL3650417; BDBM140264
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|
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| Activity | Neurokinin receptor 3 |
IC50 = 55000 nM
|
[8] | ||
| Compound Name |
(E)-1-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL95489; BDBM50283773; (E)-1-{4-[(4-Chloro-phenyl)-phenyl-methyl]-piperazin-1-yl}-3-phenyl-propenone
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|
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| Activity | Neurokinin receptor 3 |
IC50 = 60000 nM
|
[9] | ||
| Compound Name |
(2R)-N-[(2R)-1-[Benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[N'-(2-nitrophenyl)carbamimidoyl]pyrrolidine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL432979
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|
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| Activity | Neurokinin receptor 1 |
IC50 = 60600 nM
|
[2] | ||
| Compound Name |
(3R,15S,21S)-3-(1H-Indol-3-ylmethyl)-9-[(4-methoxyphenyl)methyl]-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2370511; BDBM50030091
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|
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| Activity | Neurokinin receptor 1 |
Ki = 72000 nM
|
[10] | ||
| Neurokinin receptor 2 |
Ki = 73000 nM
|
[10] | |||
| Compound Name |
Methyl 6-acetamido-3-[[(2S)-1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-4-(1H-indol-3-yl)-1-oxobutan-2-yl]carbamoyl]-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1916633; BDBM50357011
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| Activity | Neurokinin receptor 1 |
Ki = 79000 nM
|
[11] | ||
| Compound Name |
(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL419500; SCHEMBL5419344; BDBM50002653; ((2R,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine; (2R)-2alpha-(Benzhydryl)-3beta-(2-methoxybenzylamino)-1-azabicyclo[2.2.2]octane; [(2R,3R)-2-(2,2-Diphenyl-ethyl)-1-aza-bicyclo[2.2.2]oct-3-yl]-(2-methoxy-benzyl)-amine
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| Activity | Neurokinin receptor 1 |
IC50 = 81000 nM
|
[12] | ||
| Compound Name |
(1S,4S,7S,9S)-4-Benzyl-9-[(2-methoxy-5-nitrophenyl)methyl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL334304; BDBM50286417
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| Activity | Neurokinin receptor 1 |
IC50 = 88000 nM
|
[7] | ||
| Compound Name |
Cyclo(L-Pro-Gly-L-Val-Gly-O-tert-butyl-L-Tyr-Gly-L-Trp-)
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2111789; BDBM50407272
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| Activity | Neurokinin receptor 1 |
Ki = 93000 nM
|
[10] | ||
| Compound Name |
Spiroquinazoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL515179; UNII-6KQ3QJ08FF; 6KQ3QJ08FF; BDBM50292436; UNII-6KQ3QJ08FF component SIIMITFGYHVBGG-FGSBKAERSA-N
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| Activity | Neurokinin receptor 1 |
Ki = 95000 nM
|
[13] | ||
| Compound Name |
(1S,4S,7S,9S)-4-Benzyl-9-[(2-hydroxy-5-nitrophenyl)methyl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL125093; BDBM50286413
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| Activity | Neurokinin receptor 1 |
IC50 = 98000 nM
|
[7] | ||
| Compound Name |
Methyl 3-[[(2S)-1-[benzyl(methyl)amino]-4-(1H-indol-3-yl)-1-oxobutan-2-yl]carbamoyl]-5-oxo-6-(phenylmethoxycarbonylamino)-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1916635; BDBM50357013
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| Activity | Neurokinin receptor 2 |
Ki = 100000 nM
|
[11] | ||
| Neurokinin receptor 1 |
Ki = 100000 nM
|
[11] | |||
| Compound Name |
(2S)-N-(2-Morpholin-4-ylethyl)-2-phenyl-2-[(2-phenylacetyl)amino]acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3104768; BDBM50445810
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| Activity | Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[14] | ||
| Compound Name |
(1R,4S,7S,9R)-4-Benzyl-5,9-bis[(2-hydroxy-5-nitrophenyl)methyl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL419241; BDBM50286408
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| Activity | Neurokinin receptor 1 |
IC50 ~ 100000 nM
|
[7] | ||
| Compound Name |
(2R)-N-[(2R)-1-[Benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2-nitrophenyl)carbamothioyl]pyrrolidine-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL432620
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| Activity | Neurokinin receptor 1 |
IC50 = 100000 nM
|
[2] | ||
| Compound Name |
3-(2-Hydroxyethoxy)-2-phenyl-N-[(1R)-1-phenylpropyl]quinoline-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL429615; BDBM50074785; 3-(2-Hydroxy-ethoxy)-2-phenyl-quinoline-4-carboxylic acid ((R)-1-phenyl-propyl)-amide
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| Activity | Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[15] | ||
| Compound Name |
3-Methyl-2-phenyl-N-[(1R)-1-phenylpropyl]quinoline-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL10334; SCHEMBL6448819; BDBM50074782; 3-Methyl-2-phenyl-quinoline-4-carboxylic acid ((R)-1-phenyl-propyl)-amide
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| Activity | Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[15] | ||
| Compound Name |
(1S,4S,7S,9R)-4-Benzyl-9-hydroxy-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL340849; BDBM50286415
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| Activity | Neurokinin receptor 1 |
IC50 ~ 100000 nM
|
[7] | ||
| Compound Name |
(2R)-N-Benzyl-1-[2-[2-nitro-4-[2-(methylthio)ethylsulfamoyl]phenyl]hydrazinocarbonothioyl]pyrrolidine-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL159456
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| Activity | Neurokinin receptor 1 |
IC50 ~ 100000 nM
|
[4] | ||
| Compound Name |
Phenyl-[(2-phenyl-quinoline-4-carbonyl)-amino]-acetic acid methyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL429951; SB 218795 R; SCHEMBL4459313; HMS3370G09; HMS3742C09; BDBM50051291; L015496
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| Activity | Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[16] | ||
| Compound Name |
[2-Phenyl-4-((R)-1-phenyl-propylcarbamoyl)-quinolin-3-yloxy]-acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL10303; BDBM50074779
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| Activity | Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[15] | ||
| Compound Name |
3-Dimethylaminomethyl-2-phenyl-quinoline-4-carboxylic acid ((R)-1-phenyl-propyl)-amide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL10162; BDBM50074781
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| Activity | Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[15] | ||
| Compound Name |
Methyl (2R)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
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Investigative | Compound Info | ||
| Synonyms |
SB 218795; SB-218795; Sb218795; CHEMBL9843; Methyl (2R)-phenyl{[(2-phenyl-4-quinolinyl)carbonyl]amino}acetate; SB 218795R; Tocris-1376; Lopac0_000624; MLS000862187; GTPL5764; SCHEMBL4459316; CTK8E8576; DTXSID80938539; HMS2231I18; HMS3261N10; HMS3267B22; HMS3412K06; HMS3676K06; ZINC601874; Tox21_500624; BDBM50051289; AKOS024456559; CCG-204712; LP00624; SDCCGSBI-0050605.P002; NCGC00025131-01; NCGC00025131-02; NCGC00025131-03; NCGC00025131-04; NCGC00261309-01; SMR000326950; EU-0100624; S 8817; SR-01000075910; SR-01000597578; J-011022; SR-01000075910-1; SR-01000597578-1; BRD-K61097567-001-03-6; Q27088704; (-)-(R)-N-(alpha-Methoxycarbonylbenzyl)-2-phenylquinoline-4-carboxamide; (R)-[[2-Phenyl-4-quinolinyl)carbonyl]amino]-methyl ester benzeneacetic acid; N-(2-Methoxy-2-oxo-1-phenylethyl)-2-phenylquinoline-4-carboximidic acid; (R)-Phenyl-[(2-phenyl-quinoline-4-carbonyl)-amino]-acetic acid methyl ester
Click to Show/Hide
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| Activity | Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[16] | ||
| Compound Name |
3-Methoxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2113673; SCHEMBL6447403; BDBM50408857; N-[(S)-1-Phenylpropyl]-2-phenyl-3-methoxyquinoline-4-carboxamide
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| Activity | Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[15] | ||
| Compound Name |
(3R,9S,15S,21S)-9-[(4-Hydroxyphenyl)methyl]-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2370516; BDBM50030098
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| Activity | Neurokinin receptor 2 |
Ki ~ 100000 nM
|
[10] | ||
| Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[10] | |||
| Compound Name |
(2S)-N-Benzyl-1-[[4-(2-methylsulfanylethylsulfamoyl)-2-nitroanilino]carbamothioyl]pyrrolidine-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL162787; (2S)-N-Benzyl-1-[2-[2-nitro-4-[2-(methylthio)ethylsulfamoyl]phenyl]hydrazinocarbonothioyl]pyrrolidine-2-carboxamide
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| Activity | Neurokinin receptor 1 |
IC50 ~ 100000 nM
|
[4] | ||
| Compound Name |
(1R,4S,7S,9S)-4-Benzyl-9-hydroxy-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL123737; BDBM50286407
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| Activity | Neurokinin receptor 1 |
IC50 ~ 100000 nM
|
[7] | ||
| Compound Name |
2-Phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL9960; SCHEMBL6447341; AZD 7624; ZINC2105296; BDBM50051294; (s)-n-(1-phenylpropyl)-2-phenylquinoline-4-carboxamide; N-[(S)-alpha-Ethylbenzyl]-2-phenylquinoline-4-carboxamide; 2-Phenyl-quinoline-4-carboxylic acid ((S)-1-phenyl-propyl)-amide
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| Activity | Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[1] | ||
| Compound Name |
N-[(R)-1-Phenylpropyl]-2-phenyl-3-hydroxyquinoline-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL430118; SCHEMBL6449764; ZINC5932901; BDBM50074791; 3-hydroxy-2-phenyl-N-[(1R)-1-phenylpropyl]quinoline-4-carboxamide; 3-Hydroxy-2-phenyl-quinoline-4-carboxylic acid ((R)-1-phenyl-propyl)-amide
Click to Show/Hide
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| Activity | Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[15] | ||
| Compound Name |
2-[[(2S)-2-[[(2S)-2-Amino-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]amino]acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3361403; BDBM50028020
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| Activity | Neurokinin receptor 3 |
EC50 ~ 100000 nM
|
[17] | ||
| Compound Name |
(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3361402; BDBM50028019
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| Activity | Neurokinin receptor 3 |
EC50 ~ 100000 nM
|
[17] | ||
| Compound Name |
(3R,9S,15S,21S)-3-(1H-Indol-3-ylmethyl)-9-(1H-indol-5-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2370512; BDBM50030090
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| Activity | Neurokinin receptor 2 |
Ki ~ 100000 nM
|
[10] | ||
| Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[10] | |||
| Compound Name |
(3R,15S,21S)-9-[Hydroxy-(4-hydroxyphenyl)methyl]-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2370508; BDBM50030097
Click to Show/Hide
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| Activity | Neurokinin receptor 2 |
Ki ~ 100000 nM
|
[10] | ||
| Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[10] | |||
| Compound Name |
(1S,4S,7S,9S)-4-Benzyl-5,9-bis[(2-hydroxy-5-nitrophenyl)methyl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL406613; BDBM50286414
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| Activity | Neurokinin receptor 1 |
IC50 ~ 100000 nM
|
[7] | ||
| Compound Name |
(2S)-1-[(2-Chlorophenyl)methylcarbamothioyl]-N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL320762; BDBM50066214
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| Activity | Neurokinin receptor 1 |
IC50 = 100000 nM
|
[2] | ||
| Compound Name |
Methyl (2S)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL9643; Lopac-S-8817; SCHEMBL4460561; ZINC6734987; BDBM50051292; NCGC00015976-01; B6710; N-[(S)-alpha-(Methoxycarbonyl)benzyl]-2-phenylquinoline-4-carboxamide; (S)-Phenyl-[(2-phenyl-quinoline-4-carbonyl)-amino]-acetic acid methyl ester
Click to Show/Hide
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| Activity | Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[16] | ||
| Compound Name |
3-Amino-2-phenyl-quinoline-4-carboxylic acid ((R)-1-phenyl-propyl)-amide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL10224; BDBM50074789
Click to Show/Hide
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||||
| Activity | Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[15] | ||
| Compound Name |
3-Ethyl-2-phenyl-quinoline-4-carboxylic acid ((R)-1-phenyl-propyl)-amide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL275017; SCHEMBL6449768; BDBM50074776
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| Activity | Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[15] | ||
| Compound Name |
2-Phenyl-N-[(1R)-1-phenylpropyl]quinoline-4-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL10079; SCHEMBL6447531; ZINC2105298; BDBM50074773; N-[(R)-alpha-Ethylbenzyl]-2-phenylquinoline-4-carboxamide; 2-Phenyl-quinoline-4-carboxylic acid ((R)-1-phenyl-propyl)-amide
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||||
| Activity | Neurokinin receptor 1 |
Ki ~ 100000 nM
|
[15] | ||
| Compound Name |
(2S,3S)-2-Benzhydryl-3-benzyloxy-1-aza-bicyclo[2.2.2]octane
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL30029; L-703625; BDBM50281978; 2beta-(Diphenylmethyl)-3beta-(benzyloxy)-1-azabicyclo[2.2.2]octane
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| Activity | Neurokinin receptor 1 |
IC50 = 110000 nM
|
[18] | ||
| Compound Name |
5-{3,4,5-Tris-benzyloxy-6-[2-(1H-indol-3-yl)-ethoxy]-tetrahydro-pyran-2-ylmethoxy}-pentylamine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL282618; SCHEMBL7901650; BDBM50051567; 2-(1H-Indole-3-yl)ethyl 2-O,3-O,4-O-tribenzyl-6-O-(5-aminopentyl)-beta-D-glucopyranoside
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| Activity | Neurokinin receptor 1 |
IC50 = 120000 nM
|
[19] | ||
| Compound Name |
Methyl 6-acetamido-3-[[(2S)-1-[benzyl(methyl)amino]-4-(1H-indol-3-yl)-1-oxobutan-2-yl]carbamoyl]-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1916634; BDBM50357012
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| Activity | Neurokinin receptor 1 |
Ki = 158000 nM
|
[11] | ||
| Compound Name |
(2R,10R,12S)-3-Acetyl-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
acyl aszonalenin; CHEMBL480101; BDBM50292437
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| Activity | Neurokinin receptor 1 |
Ki = 170000 nM
|
[13] | ||
| Compound Name |
Chembl4214013
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Investigative | Compound Info | ||
| Synonyms |
BDBM50456632
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| Activity | Neurokinin receptor 1 |
IC50 = 200000 nM
|
[12] | ||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 6 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
[3,5-Bis(trifluoromethyl)phenyl]methyl (2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]pentanoyl]amino]propanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1916636; BDBM50357014
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| Activity | Neurokinin receptor 2 |
Ki = 250000 nM
|
[11] | ||
| Compound Name |
(2S)-2-N-[(2R)-1-[Benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL322487; BDBM50066242
Click to Show/Hide
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| Activity | Neurokinin receptor 1 |
IC50 = 274000 nM
|
[2] | ||
| Compound Name |
Chembl4215185
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Investigative | Compound Info | ||
| Synonyms |
BDBM50456633
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| Activity | Neurokinin receptor 1 |
EC50 = 350000 nM
|
[12] | ||
| Compound Name |
Methyl 6-acetamido-3-[[(2S)-1-[benzyl(methyl)amino]-4-(1H-indol-3-yl)-1-oxobutan-2-yl]carbamoyl]-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1916634; BDBM50357012
Click to Show/Hide
|
||||
| Activity | Neurokinin receptor 2 |
Ki = 398000 nM
|
[11] | ||
| Compound Name |
n-Benzyl-7-methoxy-2-phenylquinoline-4-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL51120; SCHEMBL6450481; BDBM50051296; 7-Methoxy-2-phenyl-quinoline-4-carboxylic acid benzylamide
Click to Show/Hide
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| Activity | Neurokinin receptor 3 |
Ki = 533000 nM
|
[1] | ||
| Compound Name |
Methyl 6-acetamido-3-[[(2S)-1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-4-(1H-indol-3-yl)-1-oxobutan-2-yl]carbamoyl]-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1916633; BDBM50357011
Click to Show/Hide
|
||||
| Activity | Neurokinin receptor 2 |
Ki > 3000000 nM
|
[11] | ||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | 2-Phenyl-4-quinolinecarboxamides: a novel class of potent and selective non-peptide competitive antagonists for the human neurokinin-3 receptor. J Med Chem. 1996 Jun 7;39(12):2281-4. | ||||
| REF 2 | 2-Nitrophenylcarbamoyl-(S)-prolyl-(S)-3-(2-naphthyl)alanyl-N-benzyl-N - methylamide (SDZ NKT 343), a potent human NK1 tachykinin receptor antagonist with good oral analgesic activity in chronic pain models. J Med Chem. 1998 Aug 13;41(17):3159-73. | ||||
| REF 3 | Comparison of the conformation of active and nonactive backbone cyclic analogs of substance P as a tool to elucidate features of the bioactive conformation: NMR and molecular dynamics in DMSO and water. J Med Chem. 1994 Jul 8;37(14):2145-52. | ||||
| REF 4 | Design of non-peptide CCK2 and NK1 peptidomimetics using 1-(2-nitrophenyl)thiosemicarbazide as a novel common scaffold. Bioorg Med Chem Lett. 2001 Mar 12;11(5):705-9. | ||||
| REF 5 | Structural modifications of N-arylamide oxadiazoles: Identification of N-arylpiperidine oxadiazoles as potent and selective agonists of CB2. Bioorg Med Chem Lett. 2008 Aug 1;18(15):4267-74. | ||||
| REF 6 | 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 7 | Structure-activity studies of the natural product substance P antagonist win 64821. Bioorg Med Chem Lett. 1995 Feb 16;5(4):377-80. | ||||
| REF 8 | US patent application no. 8906933B2, Dihydropyrimidin-2(1H)-one compounds as neurokinin-3 receptor antagonists | ||||
| REF 9 | Synthesis and biological evaluation of a library containing potentially 1600 amides / esters. A strategy for rapid compound generation and screening.. Bioorg Med Chem Lett. 1994 Dec 22;4(24):2821-4. | ||||
| REF 10 | Structure determination, pharmacological evaluation, and structure-activity studies of a new cyclic peptide substance P antagonist containing the new amino acid 3-prenyl-beta-hydroxytyrosine, isolated from Aspergillus flavipes. J Med Chem. 1994 Feb 4;37(3):356-63. | ||||
| REF 11 | Recent progress in synthesis and bioactivity studies of indolizines. Eur J Med Chem. 2011 Nov;46(11):5237-57. | ||||
| REF 12 | Design, synthesis and biological studies of a library of NK1-Receptor Ligands Based on a 5-arylthiosubstituted 2-amino-4,6-diaryl-3-cyano-4H-pyran core: Switch from antagonist to agonist effect by chemical modification. Eur J Med Chem. 2017 Sep 29;138:644-660. | ||||
| REF 13 | Spiroquinazoline, a novel substance P inhibitor with a new carbon skeleton, isolated from Aspergillus flavipes. J Nat Prod. 1994 Apr;57(4):471-6. | ||||
| REF 14 | Design and synthesis of potential dual NK(1)/NK(3) receptor antagonists. Bioorg Med Chem Lett. 2014 Jan 15;24(2):510-4. | ||||
| REF 15 | Discovery of a novel class of selective non-peptide antagonists for the human neurokinin-3 receptor. 2. Identification of (S)-N-(1-phenylpropyl)-3-hydroxy-2-phenylquinoline-4-carboxamide (SB 223412). J Med Chem. 1999 Mar 25;42(6):1053-65. | ||||
| REF 16 | Discovery of a novel class of selective non-peptide antagonists for the human neurokinin-3 receptor. 1. Identification of the 4-quinolinecarboxamide framework. J Med Chem. 1997 Jun 6;40(12):1794-807. | ||||
| REF 17 | Development of novel neurokinin 3 receptor (NK3R) selective agonists with resistance to proteolytic degradation. J Med Chem. 2014 Oct 23;57(20):8646-51. | ||||
| REF 18 | Quinuclidine-based NK-1 antagonists I: 3-benzyloxy-1-azabicyclo[2.2.2]octanes. Bioorg Med Chem Lett. 1993 Jun;3(6):1361-6. | ||||
| REF 19 | Synthesis of potent cyclic hexapeptide NK-1 antagonists. Use of a minilibrary in transforming a peptidal somatostatin receptor ligand into an NK-1 receptor ligand via a polyvalent peptidomimetic. J Med Chem. 1996 Jun 21;39(13):2441-8. | ||||
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