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Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'mason' and Initial = 'g'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157515
PNG
(4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridi...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r|
Show InChI InChI=1S/C24H20ClFN4O3/c1-14(29-23-22(18(25)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157511
PNG
(CHEMBL387638 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnn(C)n1 |r|
Show InChI InChI=1S/C24H20ClFN8O/c1-14(29-24-22(18(25)11-13-28-24)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)23-31-33-34(2)32-23/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157509
PNG
(CHEMBL222038 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nc(C)no1 |r|
Show InChI InChI=1S/C25H20ClFN6O2/c1-14(30-24-23(19(26)11-13-29-24)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)25-31-15(2)33-35-25/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Oryctolagus cuniculus)
BDBM50157515
PNG
(4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridi...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r|
Show InChI InChI=1S/C24H20ClFN4O3/c1-14(29-23-22(18(25)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1
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0.690n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rabbit bradykinin B1 receptor


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157513
PNG
(3-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamin...)
Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r|
Show InChI InChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(19(26)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-18(25)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157510
PNG
(CHEMBL225218 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C25H20ClFN6O2/c1-14(30-25-23(19(26)11-13-29-25)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)24-31-15(2)35-33-24/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157518
PNG
(5-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamin...)
Show SMILES COC(=O)c1ccc(Cl)cc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r|
Show InChI InChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(20(26)10-12-28-23)30-21(31)9-11-27)15-3-5-16(6-4-15)19-13-17(25)7-8-18(19)24(32)33-2/h3-8,10,12-14H,9H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Oryctolagus cuniculus)
BDBM50157513
PNG
(3-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamin...)
Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r|
Show InChI InChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(19(26)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-18(25)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rabbit bradykinin B1 receptor


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157517
PNG
(CHEMBL225006 | N-{4-chloro-2-[(R)-1-(3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1C(F)(F)F |r|
Show InChI InChI=1S/C23H17ClF4N4O/c1-13(31-22-21(17(24)10-12-30-22)32-19(33)9-11-29)14-5-7-15(8-6-14)16-3-2-4-18(25)20(16)23(26,27)28/h2-8,10,12-13H,9H2,1H3,(H,30,31)(H,32,33)/t13-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157516
PNG
(4'-{(R)-1-[3-(2-cyano-acetylamino)-4-methyl-pyridi...)
Show SMILES COC(=O)c1ccc(C)cc1-c1ccc(cc1)[C@@H](C)Nc1nccc(C)c1NC(=O)CC#N |r|
Show InChI InChI=1S/C26H26N4O3/c1-16-5-10-21(26(32)33-4)22(15-16)20-8-6-19(7-9-20)18(3)29-25-24(17(2)12-14-28-25)30-23(31)11-13-27/h5-10,12,14-15,18H,11H2,1-4H3,(H,28,29)(H,30,31)/t18-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157512
PNG
(CHEMBL374779 | N-{4-chloro-2-[(R)-1-(2'-cyano-3'-f...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1C#N |r|
Show InChI InChI=1S/C23H17ClFN5O/c1-14(29-23-22(19(24)10-12-28-23)30-21(31)9-11-26)15-5-7-16(8-6-15)17-3-2-4-20(25)18(17)13-27/h2-8,10,12,14H,9H2,1H3,(H,28,29)(H,30,31)/t14-/m1/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Oryctolagus cuniculus)
BDBM50157509
PNG
(CHEMBL222038 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nc(C)no1 |r|
Show InChI InChI=1S/C25H20ClFN6O2/c1-14(30-24-23(19(26)11-13-29-24)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)25-31-15(2)33-35-25/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rabbit bradykinin B1 receptor


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Oryctolagus cuniculus)
BDBM50157511
PNG
(CHEMBL387638 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnn(C)n1 |r|
Show InChI InChI=1S/C24H20ClFN8O/c1-14(29-24-22(18(25)11-13-28-24)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)23-31-33-34(2)32-23/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rabbit bradykinin B1 receptor


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157514
PNG
(CHEMBL221984 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnnn1C |r,wU:1.0,(12.95,-46.3,;14.28,-45.52,;14.28,-43.98,;12.94,-43.22,;11.6,-43.99,;10.27,-43.22,;10.27,-41.67,;11.6,-40.9,;11.6,-39.36,;12.94,-41.67,;14.27,-40.89,;15.6,-41.66,;15.61,-43.2,;16.93,-40.88,;18.27,-41.65,;19.6,-42.41,;15.61,-46.29,;15.61,-47.83,;16.94,-48.6,;18.27,-47.82,;18.27,-46.28,;16.93,-45.51,;19.61,-48.59,;19.61,-50.13,;20.94,-50.9,;22.27,-50.12,;22.27,-48.57,;23.59,-47.8,;20.93,-47.81,;20.92,-46.27,;19.66,-45.38,;20.12,-43.91,;21.67,-43.9,;22.15,-45.36,;23.62,-45.82,)|
Show InChI InChI=1S/C24H20ClFN8O/c1-14(29-23-22(18(25)11-13-28-23)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24-31-32-33-34(24)2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1
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6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50157514
PNG
(CHEMBL221984 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnnn1C |r,wU:1.0,(12.95,-46.3,;14.28,-45.52,;14.28,-43.98,;12.94,-43.22,;11.6,-43.99,;10.27,-43.22,;10.27,-41.67,;11.6,-40.9,;11.6,-39.36,;12.94,-41.67,;14.27,-40.89,;15.6,-41.66,;15.61,-43.2,;16.93,-40.88,;18.27,-41.65,;19.6,-42.41,;15.61,-46.29,;15.61,-47.83,;16.94,-48.6,;18.27,-47.82,;18.27,-46.28,;16.93,-45.51,;19.61,-48.59,;19.61,-50.13,;20.94,-50.9,;22.27,-50.12,;22.27,-48.57,;23.59,-47.8,;20.93,-47.81,;20.92,-46.27,;19.66,-45.38,;20.12,-43.91,;21.67,-43.9,;22.15,-45.36,;23.62,-45.82,)|
Show InChI InChI=1S/C24H20ClFN8O/c1-14(29-23-22(18(25)11-13-28-23)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24-31-32-33-34(24)2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10 kallidin from rat bradykinin B1 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50157515
PNG
(4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridi...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r|
Show InChI InChI=1S/C24H20ClFN4O3/c1-14(29-23-22(18(25)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1
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35.3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10 kallidin from rat bradykinin B1 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50157513
PNG
(3-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamin...)
Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r|
Show InChI InChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(19(26)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-18(25)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1
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35.7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10 kallidin from rat bradykinin B1 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Oryctolagus cuniculus)
BDBM50157514
PNG
(CHEMBL221984 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnnn1C |r,wU:1.0,(12.95,-46.3,;14.28,-45.52,;14.28,-43.98,;12.94,-43.22,;11.6,-43.99,;10.27,-43.22,;10.27,-41.67,;11.6,-40.9,;11.6,-39.36,;12.94,-41.67,;14.27,-40.89,;15.6,-41.66,;15.61,-43.2,;16.93,-40.88,;18.27,-41.65,;19.6,-42.41,;15.61,-46.29,;15.61,-47.83,;16.94,-48.6,;18.27,-47.82,;18.27,-46.28,;16.93,-45.51,;19.61,-48.59,;19.61,-50.13,;20.94,-50.9,;22.27,-50.12,;22.27,-48.57,;23.59,-47.8,;20.93,-47.81,;20.92,-46.27,;19.66,-45.38,;20.12,-43.91,;21.67,-43.9,;22.15,-45.36,;23.62,-45.82,)|
Show InChI InChI=1S/C24H20ClFN8O/c1-14(29-23-22(18(25)11-13-28-23)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24-31-32-33-34(24)2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1
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41.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rabbit bradykinin B1 receptor


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50157509
PNG
(CHEMBL222038 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nc(C)no1 |r|
Show InChI InChI=1S/C25H20ClFN6O2/c1-14(30-24-23(19(26)11-13-29-24)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)25-31-15(2)33-35-25/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1
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81n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10 kallidin from rat bradykinin B1 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50157511
PNG
(CHEMBL387638 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnn(C)n1 |r|
Show InChI InChI=1S/C24H20ClFN8O/c1-14(29-24-22(18(25)11-13-28-24)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)23-31-33-34(2)32-23/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1
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119n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10 kallidin from rat bradykinin B1 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157519
PNG
(4'-[(3-pentanoylamino-pyridin-2-ylamino)-methyl]-b...)
Show SMILES CCCCC(=O)Nc1cccnc1NCc1ccc(cc1)-c1ccccc1C(=O)OC
Show InChI InChI=1S/C25H27N3O3/c1-3-4-11-23(29)28-22-10-7-16-26-24(22)27-17-18-12-14-19(15-13-18)20-8-5-6-9-21(20)25(30)31-2/h5-10,12-16H,3-4,11,17H2,1-2H3,(H,26,27)(H,28,29)
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200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50432188
PNG
(CHEMBL2346976)
Show SMILES CC(=O)N1CCN(CCOc2ccc(cc2)C2CCN(CC2)C2=Nn3c(CC2)nnc3C(F)(F)F)CC1 |t:24|
Show InChI InChI=1S/C25H32F3N7O2/c1-18(36)33-14-12-32(13-15-33)16-17-37-21-4-2-19(3-5-21)20-8-10-34(11-9-20)23-7-6-22-29-30-24(25(26,27)28)35(22)31-23/h2-5,20H,6-17H2,1H3
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2.20E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from full length androgen receptor in human LNCAP cells


Bioorg Med Chem Lett 23: 1945-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.056
BindingDB Entry DOI: 10.7270/Q21J9C5N
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50432188
PNG
(CHEMBL2346976)
Show SMILES CC(=O)N1CCN(CCOc2ccc(cc2)C2CCN(CC2)C2=Nn3c(CC2)nnc3C(F)(F)F)CC1 |t:24|
Show InChI InChI=1S/C25H32F3N7O2/c1-18(36)33-14-12-32(13-15-33)16-17-37-21-4-2-19(3-5-21)20-8-10-34(11-9-20)23-7-6-22-29-30-24(25(26,27)28)35(22)31-23/h2-5,20H,6-17H2,1H3
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5.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to rat androgen receptor ligand binding domain by fluorescence polarization assay


Bioorg Med Chem Lett 23: 1945-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.056
BindingDB Entry DOI: 10.7270/Q21J9C5N
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50157516
PNG
(4'-{(R)-1-[3-(2-cyano-acetylamino)-4-methyl-pyridi...)
Show SMILES COC(=O)c1ccc(C)cc1-c1ccc(cc1)[C@@H](C)Nc1nccc(C)c1NC(=O)CC#N |r|
Show InChI InChI=1S/C26H26N4O3/c1-16-5-10-21(26(32)33-4)22(15-16)20-8-6-19(7-9-20)18(3)29-25-24(17(2)12-14-28-25)30-23(31)11-13-27/h5-10,12,14-15,18H,11H2,1-4H3,(H,28,29)(H,30,31)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expresed in CHO cells


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50315610
PNG
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3nc(cnc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C19H10F6N6/c20-18(21,22)10-3-5-11(6-4-10)30-16-15-17(29-9-28-16)31-13(8-27-15)14-12(19(23,24)25)2-1-7-26-14/h1-9H,(H,28,29,30,31)
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n/an/a 0.210n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50315616
PNG
(3-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluor...)
Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(cnc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-5-12(6-4-11)30-14-7-9-28-18-17(14)29-10-15(31-18)16-13(20(24,25)26)2-1-8-27-16/h1-10H,(H,28,30,31)
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n/an/a 0.230n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157515
PNG
(4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridi...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r|
Show InChI InChI=1S/C24H20ClFN4O3/c1-14(29-23-22(18(25)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1
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n/an/a 0.25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at bradykinin B1 receptor expresed in CHO cells assessed as inhibition of des-arg10-kallidin-induced increase in cytosolic calciu...


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50315608
PNG
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(cnc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)12-3-5-13(6-4-12)31-18-17-15(29-10-30-18)8-11(9-28-17)16-14(20(24,25)26)2-1-7-27-16/h1-10H,(H,29,30,31)
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n/an/a 0.630n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157510
PNG
(CHEMBL225218 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C25H20ClFN6O2/c1-14(30-25-23(19(26)11-13-29-25)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)24-31-15(2)35-33-24/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1
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n/an/a 0.780n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at bradykinin B1 receptor expresed in CHO cells assessed as inhibition of des-arg10-kallidin-induced increase in cytosolic calciu...


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50315609
PNG
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3nc(ccc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-5-12(6-4-11)30-17-13-7-8-15(31-18(13)29-10-28-17)16-14(20(24,25)26)2-1-9-27-16/h1-10H,(H,28,29,30,31)
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n/an/a 0.830n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50273167
PNG
((5-Trifluoromethylpyridin-2-yl)-[7-(3-trifluoromet...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)nc1
Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)12-4-6-16(28-9-12)31-18-13-5-3-11(8-15(13)29-10-30-18)17-14(20(24,25)26)2-1-7-27-17/h1-10H,(H,28,29,30,31)
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n/an/a 0.850n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157513
PNG
(3-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamin...)
Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r|
Show InChI InChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(19(26)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-18(25)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1
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n/an/a 0.850n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at bradykinin B1 receptor expresed in CHO cells assessed as inhibition of des-arg10-kallidin-induced increase in cytosolic calciu...


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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n/an/a 0.900n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inhibition of human TRPV1


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157509
PNG
(CHEMBL222038 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nc(C)no1 |r|
Show InChI InChI=1S/C25H20ClFN6O2/c1-14(30-24-23(19(26)11-13-29-24)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)25-31-15(2)33-35-25/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1
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n/an/a 0.940n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at bradykinin B1 receptor expresed in CHO cells assessed as inhibition of des-arg10-kallidin-induced increase in cytosolic calciu...


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50191726
PNG
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)31-19-15-8-3-12(10-17(15)29-11-30-19)18-16(21(25,26)27)2-1-9-28-18/h1-11H,(H,29,30,31)
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n/an/a 1.10n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inhibition of human TRPV1


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50191726
PNG
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)31-19-15-8-3-12(10-17(15)29-11-30-19)18-16(21(25,26)27)2-1-9-28-18/h1-11H,(H,29,30,31)
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n/an/a 1.10n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157511
PNG
(CHEMBL387638 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnn(C)n1 |r|
Show InChI InChI=1S/C24H20ClFN8O/c1-14(29-24-22(18(25)11-13-28-24)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)23-31-33-34(2)32-23/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1
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n/an/a 1.17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at bradykinin B1 receptor expresed in CHO cells assessed as inhibition of des-arg10-kallidin-induced increase in cytosolic calciu...


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157516
PNG
(4'-{(R)-1-[3-(2-cyano-acetylamino)-4-methyl-pyridi...)
Show SMILES COC(=O)c1ccc(C)cc1-c1ccc(cc1)[C@@H](C)Nc1nccc(C)c1NC(=O)CC#N |r|
Show InChI InChI=1S/C26H26N4O3/c1-16-5-10-21(26(32)33-4)22(15-16)20-8-6-19(7-9-20)18(3)29-25-24(17(2)12-14-28-25)30-23(31)11-13-27/h5-10,12,14-15,18H,11H2,1-4H3,(H,28,29)(H,30,31)/t18-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at bradykinin B1 receptor expresed in CHO cells assessed as inhibition of des-arg10-kallidin-induced increase in cytosolic calciu...


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157518
PNG
(5-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamin...)
Show SMILES COC(=O)c1ccc(Cl)cc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r|
Show InChI InChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(20(26)10-12-28-23)30-21(31)9-11-27)15-3-5-16(6-4-15)19-13-17(25)7-8-18(19)24(32)33-2/h3-8,10,12-14H,9H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at bradykinin B1 receptor expresed in CHO cells assessed as inhibition of des-arg10-kallidin-induced increase in cytosolic calciu...


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50272850
PNG
(2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-...)
Show SMILES COCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F
Show InChI InChI=1S/C23H16F6N4O/c1-34-12-19-32-18-11-13(20-17(23(27,28)29)3-2-10-30-20)4-9-16(18)21(33-19)31-15-7-5-14(6-8-15)22(24,25)26/h2-11H,12H2,1H3,(H,31,32,33)
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n/an/a 1.5n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inhibition of human TRPV1


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50315612
PNG
(7-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluor...)
Show SMILES FC(F)(F)c1ccc(Nc2ccnc3cc(ccc23)-c2ncccc2C(F)(F)F)nc1
Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-18(30-11-13)31-16-7-9-28-17-10-12(3-5-14(16)17)19-15(21(25,26)27)2-1-8-29-19/h1-11H,(H,28,30,31)
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n/an/a 1.65n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50315615
PNG
(7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)
Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)nc1
Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-16(29-10-11)30-14-7-9-28-18-12(14)4-5-15(31-18)17-13(20(24,25)26)2-1-8-27-17/h1-10H,(H,28,29,30,31)
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n/an/a 2.20n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Oryctolagus cuniculus)
BDBM50157515
PNG
(4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridi...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r|
Show InChI InChI=1S/C24H20ClFN4O3/c1-14(29-23-22(18(25)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at rabbit bradykinin B1 receptor assessed by FLIPR assay


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50184737
PNG
(CHEMBL378563 | N-(4-(trifluoromethyl)phenyl)-4-(3-...)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H12F6N2O/c21-19(22,23)14-7-9-15(10-8-14)28-18(29)13-5-3-12(4-6-13)17-16(20(24,25)26)2-1-11-27-17/h1-11H,(H,28,29)
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n/an/a 3n/an/an/an/a5.5n/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of acidic pH 5.5-stimulated current in CHO cells expressing human TRPV1 receptor by patch clamp


Bioorg Med Chem Lett 16: 2872-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.004
BindingDB Entry DOI: 10.7270/Q2959H50
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50315615
PNG
(7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)
Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)nc1
Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-16(29-10-11)30-14-7-9-28-18-12(14)4-5-15(31-18)17-13(20(24,25)26)2-1-8-27-17/h1-10H,(H,28,29,30,31)
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n/an/a 3.25n/an/an/an/a5.0n/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat TRPV1 at pH 5 to 5.5


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Oryctolagus cuniculus)
BDBM50157511
PNG
(CHEMBL387638 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)
Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnn(C)n1 |r|
Show InChI InChI=1S/C24H20ClFN8O/c1-14(29-24-22(18(25)11-13-28-24)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)23-31-33-34(2)32-23/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at rabbit bradykinin B1 receptor assessed by FLIPR assay


J Med Chem 47: 6439-42 (2004)


Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232114
PNG
((R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(...)
Show SMILES CC(C)(C)c1ccc2[C@@H](CCc2c1)NC(=O)Nc1cccc2[nH]ncc12
Show InChI InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inhibition of human TRPV1


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50184729
PNG
(2-(4-(trifluoromethyl)phenyl)-6-(3-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccc(cc1)-n1[nH]c2cc(ccc2c1=O)-c1ncccc1C(F)(F)F
Show InChI InChI=1S/C20H11F6N3O/c21-19(22,23)12-4-6-13(7-5-12)29-18(30)14-8-3-11(10-16(14)28-29)17-15(20(24,25)26)2-1-9-27-17/h1-10,28H
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n/an/a 4n/an/an/an/a5.5n/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of acidic pH 5.5-stimulated current in CHO cells expressing human TRPV1 receptor by patch clamp


Bioorg Med Chem Lett 16: 2872-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.004
BindingDB Entry DOI: 10.7270/Q2959H50
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50315614
PNG
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)12-3-5-13(6-4-12)30-16-9-11-29-19-14(16)7-8-17(31-19)18-15(21(25,26)27)2-1-10-28-18/h1-11H,(H,29,30,31)
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n/an/a 6.10n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50273214
PNG
(7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluor...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cn1
Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)14-2-1-7-27-17(14)11-3-5-13-15(8-11)29-10-30-18(13)31-12-4-6-16(28-9-12)20(24,25)26/h1-10H,(H,29,30,31)
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n/an/a 7.10n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
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