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Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50038675   
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))
BDBM50243345
PNG
(CHEMBL451761 | Tetrahydrofuran-2-ylmethyl{4-[({2-[...)
Show SMILES Fc1ccc(nc1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)OCC2CCCO2)cc1
Show InChI InChI=1S/C24H22FN3O6S/c25-16-7-12-22(26-14-16)23(29)20-5-1-2-6-21(20)28-35(31,32)19-10-8-17(9-11-19)27-24(30)34-15-18-4-3-13-33-18/h1-2,5-12,14,18,28H,3-4,13,15H2,(H,27,30)
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243345
PNG
(CHEMBL451761 | Tetrahydrofuran-2-ylmethyl{4-[({2-[...)
Show SMILES Fc1ccc(nc1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)OCC2CCCO2)cc1
Show InChI InChI=1S/C24H22FN3O6S/c25-16-7-12-22(26-14-16)23(29)20-5-1-2-6-21(20)28-35(31,32)19-10-8-17(9-11-19)27-24(30)34-15-18-4-3-13-33-18/h1-2,5-12,14,18,28H,3-4,13,15H2,(H,27,30)
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243173
PNG
(CHEMBL487445 | N-(2-Benzoyl-phenyl)-4-[3-(3-piperi...)
Show SMILES O=C(NCCCN1CCCCC1)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C28H32N4O4S/c33-27(22-10-3-1-4-11-22)25-12-5-6-13-26(25)31-37(35,36)24-16-14-23(15-17-24)30-28(34)29-18-9-21-32-19-7-2-8-20-32/h1,3-6,10-17,31H,2,7-9,18-21H2,(H2,29,30,34)
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0.25n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243301
PNG
(CHEMBL454085 | Tetrahydrofuran-2-ylmethyl 4-{[(2-b...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1)OCC1CCCO1
Show InChI InChI=1S/C25H24N2O6S/c28-24(18-7-2-1-3-8-18)22-10-4-5-11-23(22)27-34(30,31)21-14-12-19(13-15-21)26-25(29)33-17-20-9-6-16-32-20/h1-5,7-8,10-15,20,27H,6,9,16-17H2,(H,26,29)
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0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243174
PNG
(CHEMBL488662 | N-(2-Benzoylphenyl)-4-[({[3-(3-fluo...)
Show SMILES FC1CCCN(CCCNC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)C1
Show InChI InChI=1S/C28H31FN4O4S/c29-22-10-6-18-33(20-22)19-7-17-30-28(35)31-23-13-15-24(16-14-23)38(36,37)32-26-12-5-4-11-25(26)27(34)21-8-2-1-3-9-21/h1-5,8-9,11-16,22,32H,6-7,10,17-20H2,(H2,30,31,35)
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1.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243227
PNG
(CHEMBL487876 | N-(2-Benzoyl-phenyl)-4-[3-(3-morpho...)
Show SMILES O=C(NCCCN1CCOCC1)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C27H30N4O5S/c32-26(21-7-2-1-3-8-21)24-9-4-5-10-25(24)30-37(34,35)23-13-11-22(12-14-23)29-27(33)28-15-6-16-31-17-19-36-20-18-31/h1-5,7-14,30H,6,15-20H2,(H2,28,29,33)
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2.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243302
PNG
(CHEMBL454086 | Tetrahydrofuran-2-ylmethyl[4-({[2-(...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccn1)OCC1CCCO1
Show InChI InChI=1S/C24H23N3O6S/c28-23(22-9-3-4-14-25-22)20-7-1-2-8-21(20)27-34(30,31)19-12-10-17(11-13-19)26-24(29)33-16-18-6-5-15-32-18/h1-4,7-14,18,27H,5-6,15-16H2,(H,26,29)
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2.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243302
PNG
(CHEMBL454086 | Tetrahydrofuran-2-ylmethyl[4-({[2-(...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccn1)OCC1CCCO1
Show InChI InChI=1S/C24H23N3O6S/c28-23(22-9-3-4-14-25-22)20-7-1-2-8-21(20)27-34(30,31)19-12-10-17(11-13-19)26-24(29)33-16-18-6-5-15-32-18/h1-4,7-14,18,27H,5-6,15-16H2,(H,26,29)
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2.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243226
PNG
(CHEMBL486052 | N-(2-Benzoyl-phenyl)-4-{3-[3-(3,3-d...)
Show SMILES FC1(F)CCCN(CCCNC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)C1
Show InChI InChI=1S/C28H30F2N4O4S/c29-28(30)16-6-18-34(20-28)19-7-17-31-27(36)32-22-12-14-23(15-13-22)39(37,38)33-25-11-5-4-10-24(25)26(35)21-8-2-1-3-9-21/h1-5,8-15,33H,6-7,16-20H2,(H2,31,32,36)
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5.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243229
PNG
(CHEMBL487621 | N-(2-Benzoylphenyl)-4-({[(tetrahydr...)
Show SMILES O=C(NCC1CCCO1)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C25H25N3O5S/c29-24(18-7-2-1-3-8-18)22-10-4-5-11-23(22)28-34(31,32)21-14-12-19(13-15-21)27-25(30)26-17-20-9-6-16-33-20/h1-5,7-8,10-15,20,28H,6,9,16-17H2,(H2,26,27,30)
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15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50377955
PNG
(CHEMBL1203967)
Show SMILES CNCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C23H24N4O4S/c1-24-15-16-25-23(29)26-18-11-13-19(14-12-18)32(30,31)27-21-10-6-5-9-20(21)22(28)17-7-3-2-4-8-17/h2-14,24,27H,15-16H2,1H3,(H2,25,26,29)
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19n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50242839
PNG
(CHEMBL516783 | N-[4-({[2-(4-Fluorobenzoyl)phenyl]a...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H17FN2O4S/c1-14(25)23-17-10-12-18(13-11-17)29(27,28)24-20-5-3-2-4-19(20)21(26)15-6-8-16(22)9-7-15/h2-13,24H,1H3,(H,23,25)
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23n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243228
PNG
(CHEMBL487620 | N-(2-Benzoylphenyl)-4-({[(2-methoxy...)
Show SMILES COCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C23H23N3O5S/c1-31-16-15-24-23(28)25-18-11-13-19(14-12-18)32(29,30)26-21-10-6-5-9-20(21)22(27)17-7-3-2-4-8-17/h2-14,26H,15-16H2,1H3,(H2,24,25,28)
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24n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243115
PNG
(CHEMBL530549 | N-{4-[({2-[(5-Fluoropyridin-2-yl)ca...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccc(F)cn1
Show InChI InChI=1S/C20H16FN3O4S/c1-13(25)23-15-7-9-16(10-8-15)29(27,28)24-18-5-3-2-4-17(18)20(26)19-11-6-14(21)12-22-19/h2-12,24H,1H3,(H,23,25)
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24n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243067
PNG
(CHEMBL469675 | N-[4-({[2-(2,3-Difluorobenzoyl)phen...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1cccc(F)c1F
Show InChI InChI=1S/C21H16F2N2O4S/c1-13(26)24-14-9-11-15(12-10-14)30(28,29)25-19-8-3-2-5-16(19)21(27)17-6-4-7-18(22)20(17)23/h2-12,25H,1H3,(H,24,26)
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28n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243116
PNG
(CHEMBL488626 | N-{4-[({2-[(6-Fluoropyridin-3-yl)ca...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccc(F)nc1
Show InChI InChI=1S/C20H16FN3O4S/c1-13(25)23-15-7-9-16(10-8-15)29(27,28)24-18-5-3-2-4-17(18)20(26)14-6-11-19(21)22-12-14/h2-12,24H,1H3,(H,23,25)
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43n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243673
PNG
(CHEMBL471371 | N-[4-(2-Benzoyl-phenylsulfamoyl)-ph...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C21H18N2O4S/c1-15(24)22-17-11-13-18(14-12-17)28(26,27)23-20-10-6-5-9-19(20)21(25)16-7-3-2-4-8-16/h2-14,23H,1H3,(H,22,24)
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45n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243065
PNG
(CHEMBL470486 | N-[4-({[2-(2,4-Difluorobenzoyl)phen...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C21H16F2N2O4S/c1-13(26)24-15-7-9-16(10-8-15)30(28,29)25-20-5-3-2-4-18(20)21(27)17-11-6-14(22)12-19(17)23/h2-12,25H,1H3,(H,24,26)
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56n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50242838
PNG
(CHEMBL460046 | N-[4-({[2-(3-Fluorobenzoyl)phenyl]a...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1cccc(F)c1
Show InChI InChI=1S/C21H17FN2O4S/c1-14(25)23-17-9-11-18(12-10-17)29(27,28)24-20-8-3-2-7-19(20)21(26)15-5-4-6-16(22)13-15/h2-13,24H,1H3,(H,23,25)
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65n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50242913
PNG
(CHEMBL472303 | N-[4-({[2-(4-Chlorobenzoyl)phenyl]a...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN2O4S/c1-14(25)23-17-10-12-18(13-11-17)29(27,28)24-20-5-3-2-4-19(20)21(26)15-6-8-16(22)9-7-15/h2-13,24H,1H3,(H,23,25)
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70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243069
PNG
(CHEMBL500312 | N-[4-({[2-(Pyridin-3-ylcarbonyl)phe...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1cccnc1
Show InChI InChI=1S/C20H17N3O4S/c1-14(24)22-16-8-10-17(11-9-16)28(26,27)23-19-7-3-2-6-18(19)20(25)15-5-4-12-21-13-15/h2-13,23H,1H3,(H,22,24)
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72n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50242841
PNG
(CHEMBL470693 | N-[4-({[2-(3-Chlorobenzoyl)phenyl]a...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H17ClN2O4S/c1-14(25)23-17-9-11-18(12-10-17)29(27,28)24-20-8-3-2-7-19(20)21(26)15-5-4-6-16(22)13-15/h2-13,24H,1H3,(H,23,25)
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108n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243068
PNG
(CHEMBL469875 | N-[4-({[2-(Pyridin-2-ylcarbonyl)phe...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccn1
Show InChI InChI=1S/C20H17N3O4S/c1-14(24)22-15-9-11-16(12-10-15)28(26,27)23-18-7-3-2-6-17(18)20(25)19-8-4-5-13-21-19/h2-13,23H,1H3,(H,22,24)
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202n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243171
PNG
(CHEMBL519247 | N-(2-Benzoylphenyl)-4-{[(dimethylam...)
Show SMILES CN(C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C22H21N3O4S/c1-25(2)22(27)23-17-12-14-18(15-13-17)30(28,29)24-20-11-7-6-10-19(20)21(26)16-8-4-3-5-9-16/h3-15,24H,1-2H3,(H,23,27)
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215n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243118
PNG
(CHEMBL487263 | N-(2-Benzoylphenyl)-4-{[(methylamin...)
Show SMILES CNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C21H19N3O4S/c1-22-21(26)23-16-11-13-17(14-12-16)29(27,28)24-19-10-6-5-9-18(19)20(25)15-7-3-2-4-8-15/h2-14,24H,1H3,(H2,22,23,26)
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217n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50242837
PNG
(CHEMBL460045 | N-[4-({[2-(2-Fluorobenzoyl)phenyl]a...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1F
Show InChI InChI=1S/C21H17FN2O4S/c1-14(25)23-15-10-12-16(13-11-15)29(27,28)24-20-9-5-3-7-18(20)21(26)17-6-2-4-8-19(17)22/h2-13,24H,1H3,(H,23,25)
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251n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243066
PNG
(CHEMBL470487 | N-[4-({[2-(3,4-Difluorobenzoyl)phen...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C21H16F2N2O4S/c1-13(26)24-15-7-9-16(10-8-15)30(28,29)25-20-5-3-2-4-17(20)21(27)14-6-11-18(22)19(23)12-14/h2-12,25H,1H3,(H,24,26)
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331n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243114
PNG
(CHEMBL488461 | N-(4-{[(2-Isonicotinoylphenyl)amino...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccncc1
Show InChI InChI=1S/C20H17N3O4S/c1-14(24)22-16-6-8-17(9-7-16)28(26,27)23-19-5-3-2-4-18(19)20(25)15-10-12-21-13-11-15/h2-13,23H,1H3,(H,22,24)
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431n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50243117
PNG
(CHEMBL528544 | Methyl (4-{[(2-Benzoylphenyl)amino]...)
Show SMILES COC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C21H18N2O5S/c1-28-21(25)22-16-11-13-17(14-12-16)29(26,27)23-19-10-6-5-9-18(19)20(24)15-7-3-2-4-8-15/h2-14,23H,1H3,(H,22,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50242840
PNG
(CHEMBL512686 | N-[4-({[2-(2-Chlorobenzoyl)phenyl]a...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1Cl
Show InChI InChI=1S/C21H17ClN2O4S/c1-14(25)23-15-10-12-16(13-11-15)29(27,28)24-20-9-5-3-7-18(20)21(26)17-6-2-4-8-19(17)22/h2-13,24H,1H3,(H,23,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50243173
PNG
(CHEMBL487445 | N-(2-Benzoyl-phenyl)-4-[3-(3-piperi...)
Show SMILES O=C(NCCCN1CCCCC1)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C28H32N4O4S/c33-27(22-10-3-1-4-11-22)25-12-5-6-13-26(25)31-37(35,36)24-16-14-23(15-17-24)30-28(34)29-18-9-21-32-19-7-2-8-20-32/h1,3-6,10-17,31H,2,7-9,18-21H2,(H2,29,30,34)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of MK-499 from human ERG channel in HEK293 cells


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50243301
PNG
(CHEMBL454085 | Tetrahydrofuran-2-ylmethyl 4-{[(2-b...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1)OCC1CCCO1
Show InChI InChI=1S/C25H24N2O6S/c28-24(18-7-2-1-3-8-18)22-10-4-5-11-23(22)27-34(30,31)21-14-12-19(13-15-21)26-25(29)33-17-20-9-6-16-32-20/h1-5,7-8,10-15,20,27H,6,9,16-17H2,(H,26,29)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of MK-499 from human ERG channel in HEK293 cells


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50243302
PNG
(CHEMBL454086 | Tetrahydrofuran-2-ylmethyl[4-({[2-(...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccn1)OCC1CCCO1
Show InChI InChI=1S/C24H23N3O6S/c28-23(22-9-3-4-14-25-22)20-7-1-2-8-21(20)27-34(30,31)19-12-10-17(11-13-19)26-24(29)33-16-18-6-5-15-32-18/h1-4,7-14,18,27H,5-6,15-16H2,(H,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of MK-499 from human ERG channel in HEK293 cells


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50243345
PNG
(CHEMBL451761 | Tetrahydrofuran-2-ylmethyl{4-[({2-[...)
Show SMILES Fc1ccc(nc1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)OCC2CCCO2)cc1
Show InChI InChI=1S/C24H22FN3O6S/c25-16-7-12-22(26-14-16)23(29)20-5-1-2-6-21(20)28-35(31,32)19-10-8-17(9-11-19)27-24(30)34-15-18-4-3-13-33-18/h1-2,5-12,14,18,28H,3-4,13,15H2,(H,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of MK-499 from human ERG channel in HEK293 cells


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50243673
PNG
(CHEMBL471371 | N-[4-(2-Benzoyl-phenylsulfamoyl)-ph...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C21H18N2O4S/c1-15(24)22-17-11-13-18(14-12-17)28(26,27)23-20-10-6-5-9-19(20)21(25)16-7-3-2-4-8-16/h2-14,23H,1H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of MK-499 from human ERG channel in HEK293 cells


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50243302
PNG
(CHEMBL454086 | Tetrahydrofuran-2-ylmethyl[4-({[2-(...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccn1)OCC1CCCO1
Show InChI InChI=1S/C24H23N3O6S/c28-23(22-9-3-4-14-25-22)20-7-1-2-8-21(20)27-34(30,31)19-12-10-17(11-13-19)26-24(29)33-16-18-6-5-15-32-18/h1-4,7-14,18,27H,5-6,15-16H2,(H,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of MK-499 from human ERG channel in HEK293 cells


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50243345
PNG
(CHEMBL451761 | Tetrahydrofuran-2-ylmethyl{4-[({2-[...)
Show SMILES Fc1ccc(nc1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)OCC2CCCO2)cc1
Show InChI InChI=1S/C24H22FN3O6S/c25-16-7-12-22(26-14-16)23(29)20-5-1-2-6-21(20)28-35(31,32)19-10-8-17(9-11-19)27-24(30)34-15-18-4-3-13-33-18/h1-2,5-12,14,18,28H,3-4,13,15H2,(H,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of MK-499 from human ERG channel in HEK293 cells


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50242839
PNG
(CHEMBL516783 | N-[4-({[2-(4-Fluorobenzoyl)phenyl]a...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H17FN2O4S/c1-14(25)23-17-10-12-18(13-11-17)29(27,28)24-20-5-3-2-4-19(20)21(26)15-6-8-16(22)9-7-15/h2-13,24H,1H3,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of MK-499 from human ERG channel in HEK293 cells


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair