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Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with Target = 'BDKRB1'   
Target
(Institution)
LigandTarget
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
BDKRB1


(RAT)
BDBM50264141
PNG
(1-Benzyl-1H-benzoimidazole-2-carboxylic acid {2-[6...)
Show SMILES O=C(CCNC(=O)c1nc2ccccc2n1Cc1ccccc1)Nc1ccc(nc1)C1=NCCN1
Show InChI InChI=1S/C26H25N7O2/c34-23(31-19-10-11-21(30-16-19)24-27-14-15-28-24)12-13-29-26(35)25-32-20-8-4-5-9-22(20)33(25)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,28)(H,29,35)(H,31,34)
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n/an/a 0.800n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 18: 5027-31 (2008)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50326709
PNG
((R)-1-(2-oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-b...)
Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O
Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)/t34-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat bradykinin B1 receptor


J Med Chem 53: 5383-99 (2010)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50326709
PNG
((R)-1-(2-oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-b...)
Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O
Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)/t34-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against rat Bradykinin receptor B1 using FLIPR assay


J Med Chem 46: 1803-6 (2003)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50203200
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity at rat bradykinin B1 receptor assessed as effect on DAK-mediated calcium mobilization


J Med Chem 50: 607-10 (2007)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50370213
PNG
(CHEMBL1744083)
Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O
Show InChI InChI=1S/C37H46N6O2/c1-2-23-43-34-14-8-7-13-32(34)33(20-15-28-11-5-3-6-12-28)39-35(36(43)44)40-37(45)38-29-16-18-30(19-17-29)42-26-21-31(22-27-42)41-24-9-4-10-25-41/h3,5-8,11-14,16-19,31,35H,2,4,9-10,15,20-27H2,1H3,(H2,38,40,45)/t35-/m0/s1
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n/an/a 7.25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against rat Bradykinin receptor B1 using FLIPR assay


J Med Chem 46: 1803-6 (2003)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50264368
PNG
(1-benzyl-N-ethyl-N-(2-(4-(1-methylpiperidin-4-yl)p...)
Show SMILES CCN(CC(=O)N1CCN(CC1)C1CCN(C)CC1)C(=O)c1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C29H38N6O2/c1-3-32(22-27(36)34-19-17-33(18-20-34)24-13-15-31(2)16-14-24)29(37)28-30-25-11-7-8-12-26(25)35(28)21-23-9-5-4-6-10-23/h4-12,24H,3,13-22H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 18: 5027-31 (2008)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50381270
PNG
(CHEMBL2018868)
Show SMILES Cc1cc(C)c(cc1C)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C35H36N4O3S/c1-23-20-25(3)33(21-24(23)2)43(41,42)39-31-11-7-6-9-29(31)28-8-4-5-10-30(28)32(39)22-34(40)36-17-16-26-12-14-27(15-13-26)35-37-18-19-38-35/h4-15,20-21,32H,16-19,22H2,1-3H3,(H,36,40)(H,37,38)
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n/an/a 21n/an/an/an/an/an/a



Gedeon Richter Plc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 22: 3095-9 (2012)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50381265
PNG
(CHEMBL2018873)
Show SMILES COc1cccc2C(CC(=O)NCCc3ccc(cc3)C3=NCCN3)N(c3ccccc3-c12)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H30Cl2N4O4S/c1-43-30-8-4-6-25-29(20-31(40)36-16-15-21-9-11-22(12-10-21)33-37-17-18-38-33)39(28-7-3-2-5-24(28)32(25)30)44(41,42)23-13-14-26(34)27(35)19-23/h2-14,19,29H,15-18,20H2,1H3,(H,36,40)(H,37,38)
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n/an/a 21n/an/an/an/an/an/a



Gedeon Richter Plc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 22: 3095-9 (2012)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50264370
PNG
(1-benzyl-N-(2-(4-(1-methylpiperidin-4-yl)piperazin...)
Show SMILES CCCN(CC(=O)N1CCN(CC1)C1CCN(C)CC1)C(=O)c1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C30H40N6O2/c1-3-15-35(23-28(37)34-20-18-33(19-21-34)25-13-16-32(2)17-14-25)30(38)29-31-26-11-7-8-12-27(26)36(29)22-24-9-5-4-6-10-24/h4-12,25H,3,13-23H2,1-2H3
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n/an/a 23n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 18: 5027-31 (2008)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50370216
PNG
(CHEMBL1744084)
Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O)C1CCCCC1
Show InChI InChI=1S/C34H41N7O2/c1-2-20-41-30-11-7-6-10-29(30)31(25-8-4-3-5-9-25)37-32(33(41)42)38-34(43)36-26-12-14-27(15-13-26)39-21-23-40(24-22-39)28-16-18-35-19-17-28/h6-7,10-19,25,32H,2-5,8-9,20-24H2,1H3,(H2,36,38,43)/t32-/m0/s1
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n/an/a 24.2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against rat Bradykinin receptor B1 using FLIPR assay


J Med Chem 46: 1803-6 (2003)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50370217
PNG
(CHEMBL1744085)
Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C36H44N6O2/c1-3-21-42-32-10-6-5-9-31(32)33(27-13-11-26(2)12-14-27)38-34(35(42)43)39-36(44)37-28-15-17-29(18-16-28)41-24-19-30(20-25-41)40-22-7-4-8-23-40/h5-6,9-18,30,34H,3-4,7-8,19-25H2,1-2H3,(H2,37,39,44)/t34-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against rat Bradykinin receptor B1 using FLIPR assay


J Med Chem 46: 1803-6 (2003)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50381271
PNG
(CHEMBL2018867)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C32H28Cl2N4O3S/c33-27-14-13-23(19-28(27)34)42(40,41)38-29-8-4-3-6-25(29)24-5-1-2-7-26(24)30(38)20-31(39)35-16-15-21-9-11-22(12-10-21)32-36-17-18-37-32/h1-14,19,30H,15-18,20H2,(H,35,39)(H,36,37)
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n/an/a 28n/an/an/an/an/an/a



Gedeon Richter Plc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 22: 3095-9 (2012)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50381266
PNG
(CHEMBL2018872)
Show SMILES Fc1cc(F)c-2c(c1)C(CC(=O)NCCc1ccc(cc1)C1=NCCN1)N(c1ccccc-21)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H26Cl2F2N4O3S/c33-25-10-9-22(17-26(25)34)44(42,43)40-28-4-2-1-3-23(28)31-24(15-21(35)16-27(31)36)29(40)18-30(41)37-12-11-19-5-7-20(8-6-19)32-38-13-14-39-32/h1-10,15-17,29H,11-14,18H2,(H,37,41)(H,38,39)
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n/an/a 42n/an/an/an/an/an/a



Gedeon Richter Plc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 22: 3095-9 (2012)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50381273
PNG
(CHEMBL2018874)
Show SMILES COc1cccc2C(CC(=O)N[C@H]3CC[C@H](CCN4CCCC4)CC3)N(c3ccccc3-c12)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl2N3O4S/c1-43-32-10-6-8-27-31(22-33(40)37-24-13-11-23(12-14-24)17-20-38-18-4-5-19-38)39(30-9-3-2-7-26(30)34(27)32)44(41,42)25-15-16-28(35)29(36)21-25/h2-3,6-10,15-16,21,23-24,31H,4-5,11-14,17-20,22H2,1H3,(H,37,40)/t23-,24-,31?
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n/an/a 43n/an/an/an/an/an/a



Gedeon Richter Plc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 22: 3095-9 (2012)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50381267
PNG
(CHEMBL2018871)
Show SMILES Fc1ccc-2c(c1)C(CC(=O)NCCc1ccc(cc1)C1=NCCN1)N(c1ccccc-21)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H27Cl2FN4O3S/c33-27-12-10-23(18-28(27)34)43(41,42)39-29-4-2-1-3-25(29)24-11-9-22(35)17-26(24)30(39)19-31(40)36-14-13-20-5-7-21(8-6-20)32-37-15-16-38-32/h1-12,17-18,30H,13-16,19H2,(H,36,40)(H,37,38)
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n/an/a 45n/an/an/an/an/an/a



Gedeon Richter Plc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 22: 3095-9 (2012)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50381269
PNG
(CHEMBL2018869)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C33H32N4O3S/c1-23-10-16-26(17-11-23)41(39,40)37-30-9-5-4-7-28(30)27-6-2-3-8-29(27)31(37)22-32(38)34-19-18-24-12-14-25(15-13-24)33-35-20-21-36-33/h2-17,31H,18-22H2,1H3,(H,34,38)(H,35,36)
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n/an/a 52n/an/an/an/an/an/a



Gedeon Richter Plc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 22: 3095-9 (2012)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50370215
PNG
(CHEMBL1744082)
Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)C1CCCCC1
Show InChI InChI=1S/C35H48N6O2/c1-2-21-41-31-14-8-7-13-30(31)32(26-11-5-3-6-12-26)37-33(34(41)42)38-35(43)36-27-15-17-28(18-16-27)40-24-19-29(20-25-40)39-22-9-4-10-23-39/h7-8,13-18,26,29,33H,2-6,9-12,19-25H2,1H3,(H2,36,38,43)/t33-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against rat Bradykinin receptor B1 using FLIPR assay


J Med Chem 46: 1803-6 (2003)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50381268
PNG
(CHEMBL2018870)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C33H32N4O4S/c1-41-25-14-16-26(17-15-25)42(39,40)37-30-9-5-4-7-28(30)27-6-2-3-8-29(27)31(37)22-32(38)34-19-18-23-10-12-24(13-11-23)33-35-20-21-36-33/h2-17,31H,18-22H2,1H3,(H,34,38)(H,35,36)
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n/an/a 81n/an/an/an/an/an/a



Gedeon Richter Plc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 22: 3095-9 (2012)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50264298
PNG
(CHEMBL490201 | N-(2-((4-(4,5-dihydro-1H-imidazol-2...)
Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)CNC(=O)c1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C28H28N6O2/c1-33(18-21-11-13-22(14-12-21)26-29-15-16-30-26)25(35)17-31-28(36)27-32-23-9-5-6-10-24(23)34(27)19-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,29,30)(H,31,36)
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n/an/a 155n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 18: 5027-31 (2008)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50156455
PNG
((R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)C2=NCCN2)C(=O)Nc2ccccc12
Show InChI InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1
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n/an/a 164n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat bradykinin B1 receptor


J Med Chem 53: 5383-99 (2010)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50264140
PNG
(CHEMBL492211 | N-(2-((4-(4,5-dihydro-1H-imidazol-2...)
Show SMILES CCN(CC(=O)N(C)Cc1ccc(cc1)C1=NCCN1)C(=O)c1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C30H32N6O2/c1-3-35(21-27(37)34(2)19-23-13-15-24(16-14-23)28-31-17-18-32-28)30(38)29-33-25-11-7-8-12-26(25)36(29)20-22-9-5-4-6-10-22/h4-16H,3,17-21H2,1-2H3,(H,31,32)
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n/an/a 345n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 18: 5027-31 (2008)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50264369
PNG
(1-benzyl-N-(2-oxo-2-(4-(pyridin-4-yl)piperazin-1-y...)
Show SMILES CCCN(CC(=O)N1CCN(CC1)c1ccncc1)C(=O)c1nc2ccccc2n1Cc1ccccc1
Show InChI InChI=1S/C29H32N6O2/c1-2-16-34(22-27(36)33-19-17-32(18-20-33)24-12-14-30-15-13-24)29(37)28-31-25-10-6-7-11-26(25)35(28)21-23-8-4-3-5-9-23/h3-15H,2,16-22H2,1H3
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n/an/a 396n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 18: 5027-31 (2008)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50264296
PNG
(1-benzyl-N-(2-oxo-2-(4-(pyridin-4-yl)piperazin-1-y...)
Show SMILES O=C(CNC(=O)c1nc2ccccc2n1Cc1ccccc1)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H26N6O2/c33-24(31-16-14-30(15-17-31)21-10-12-27-13-11-21)18-28-26(34)25-29-22-8-4-5-9-23(22)32(25)19-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,28,34)
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n/an/a 417n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 18: 5027-31 (2008)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50127438
PNG
(1-(2-Oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo...)
Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=NC(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O
Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)
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0.920n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 18: 5027-31 (2008)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50326709
PNG
((R)-1-(2-oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-b...)
Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O
Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)/t34-/m0/s1
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0.920n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to rat bradykinin B1 receptor


J Med Chem 53: 5383-99 (2010)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50326709
PNG
((R)-1-(2-oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-b...)
Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O
Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)/t34-/m0/s1
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0.920n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against rat Bradykinin receptor B1


J Med Chem 46: 1803-6 (2003)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50370213
PNG
(CHEMBL1744083)
Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O
Show InChI InChI=1S/C37H46N6O2/c1-2-23-43-34-14-8-7-13-32(34)33(20-15-28-11-5-3-6-12-28)39-35(36(43)44)40-37(45)38-29-16-18-30(19-17-29)42-26-21-31(22-27-42)41-24-9-4-10-25-41/h3,5-8,11-14,16-19,31,35H,2,4,9-10,15,20-27H2,1H3,(H2,38,40,45)/t35-/m0/s1
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1.97n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against rat Bradykinin receptor B1


J Med Chem 46: 1803-6 (2003)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50229295
PNG
((R)-N-((R)-1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2...)
Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C20H16ClF5N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)33-30-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1
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2.18n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rat bradikinin B1 receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 716-20 (2008)

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
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)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50370217
PNG
(CHEMBL1744085)
Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C36H44N6O2/c1-3-21-42-32-10-6-5-9-31(32)33(27-13-11-26(2)12-14-27)38-34(35(42)43)39-36(44)37-28-15-17-29(18-16-28)41-24-19-30(20-25-41)40-22-7-4-8-23-40/h5-6,9-18,30,34H,3-4,7-8,19-25H2,1-2H3,(H2,37,39,44)/t34-/m0/s1
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17n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against rat Bradykinin receptor B1


J Med Chem 46: 1803-6 (2003)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50370215
PNG
(CHEMBL1744082)
Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)C1CCCCC1
Show InChI InChI=1S/C35H48N6O2/c1-2-21-41-31-14-8-7-13-30(31)32(26-11-5-3-6-12-26)37-33(34(41)42)38-35(43)36-27-15-17-28(18-16-27)40-24-19-29(20-25-40)39-22-9-4-10-23-39/h7-8,13-18,26,29,33H,2-6,9-12,19-25H2,1H3,(H2,36,38,43)/t33-/m0/s1
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18.3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against rat Bradykinin receptor B1


J Med Chem 46: 1803-6 (2003)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50156446
PNG
(CHEMBL359553 | N-{2-[4-(4,5-Dihydro-1H-imidazol-2-...)
Show SMILES O=C(C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(cc1)C1=NCCN1
Show InChI InChI=1S/C31H29N5O4S/c37-29(32-16-15-21-9-11-23(12-10-21)30-33-17-18-34-30)20-28-31(38)35-26-7-3-4-8-27(26)36(28)41(39,40)25-14-13-22-5-1-2-6-24(22)19-25/h1-14,19,28H,15-18,20H2,(H,32,37)(H,33,34)(H,35,38)/t28-/m1/s1
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34n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the [35S]- radiolabelled compound to rat Bradykinin receptor B1


Bioorg Med Chem Lett 14: 6045-8 (2004)

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
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)

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
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)

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
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)

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
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)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50209744
PNG
((R)-3-(4-fluorophenyl)-N-((R)-7-(piperidin-1-ylmet...)
Show SMILES Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C31H33F4N3O4S/c32-24-10-8-22(9-11-24)28(37-43(40,41)25-6-4-5-23(18-25)31(33,34)35)19-30(39)36-27-13-16-42-29-17-21(7-12-26(27)29)20-38-14-2-1-3-15-38/h4-12,17-18,27-28,37H,1-3,13-16,19-20H2,(H,36,39)/t27-,28-/m1/s1
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127n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


J Med Chem 50: 2200-12 (2007)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50209720
PNG
((R)-3-(4-fluorophenyl)-N-((R)-7-(pyrrolidin-1-ylme...)
Show SMILES Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H31F4N3O4S/c31-23-9-7-21(8-10-23)27(36-42(39,40)24-5-3-4-22(17-24)30(32,33)34)18-29(38)35-26-12-15-41-28-16-20(6-11-25(26)28)19-37-13-1-2-14-37/h3-11,16-17,26-27,36H,1-2,12-15,18-19H2,(H,35,38)/t26-,27-/m1/s1
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151n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


J Med Chem 50: 2200-12 (2007)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50209726
PNG
((R)-3-(4-fluorophenyl)-N-((R)-7-((2-methoxyethylam...)
Show SMILES COCCNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C29H31F4N3O5S/c1-40-14-12-34-18-19-5-10-24-25(11-13-41-27(24)15-19)35-28(37)17-26(20-6-8-22(30)9-7-20)36-42(38,39)23-4-2-3-21(16-23)29(31,32)33/h2-10,15-16,25-26,34,36H,11-14,17-18H2,1H3,(H,35,37)/t25-,26-/m1/s1
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208n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


J Med Chem 50: 2200-12 (2007)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50202412
PNG
(3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...)
Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 18: 5027-31 (2008)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50202412
PNG
(3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...)
Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1
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1.65E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rat bradykinin B1 receptor


J Med Chem 50: 272-82 (2007)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Br J Pharmacol 111: 332-8 (1994)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50408819
PNG
(CHEMBL133560)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C41H64N12O8/c42-27(13-8-18-47-39(43)44)33(55)49-28(14-9-19-48-40(45)46)34(56)51-41(16-6-1-7-17-41)38(61)50-29(23-54)35(57)52-22-26-12-3-2-10-24(26)20-31(52)36(58)53-30-15-5-4-11-25(30)21-32(53)37(59)60/h2-3,10,12,25,27-32,54H,1,4-9,11,13-23,42H2,(H,49,55)(H,50,61)(H,51,56)(H,59,60)(H4,43,44,47)(H4,45,46,48)/t25-,27+,28-,29-,30-,31+,32-/m0/s1
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n/an/an/a 1.00E+4n/an/an/an/an/a



Institute of Mutagenesis and Differentiation

Curated by ChEMBL


Assay Description
Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal smooth muscle.


J Med Chem 42: 409-14 (1999)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50408804
PNG
(CHEMBL410363)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(O)=O
Show InChI InChI=1S/C57H81N13O12/c1-4-34(2)48(56(81)82)68-51(76)43(31-37-23-24-38-17-8-9-18-39(38)29-37)66-52(77)44(33-71)67-50(75)42(30-36-15-6-5-7-16-36)64-47(73)32-62-53(78)45-21-13-27-69(45)55(80)46-22-14-28-70(46)54(79)41(20-12-26-61-57(59)60)65-49(74)40(63-35(3)72)19-10-11-25-58/h5-9,15-18,23-24,29,34,40-46,48,71H,4,10-14,19-22,25-28,30-33,58H2,1-3H3,(H,62,78)(H,63,72)(H,64,73)(H,65,74)(H,66,77)(H,67,75)(H,68,76)(H,81,82)(H4,59,60,61)/t34-,40-,41-,42-,43+,44-,45-,46-,48-/m0/s1
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n/an/an/a 63.1n/an/an/an/an/a



Institute of Mutagenesis and Differentiation

Curated by ChEMBL


Assay Description
Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal smooth muscle.


J Med Chem 42: 409-14 (1999)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50408815
PNG
(B-9430 | CHEMBL384857)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1C(C[C@@H]2CCCC[C@H]12)C(=O)N[C@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C64H95N19O13/c65-42(16-7-21-72-62(66)67)53(87)76-43(17-8-22-73-63(68)69)58(92)81-24-10-20-47(81)59(93)82-32-41(85)30-48(82)55(89)75-31-50(86)79-51(39-25-34-11-1-2-12-35(34)26-39)57(91)78-45(33-84)54(88)80-52(40-27-36-13-3-4-14-37(36)28-40)60(94)83-46-19-6-5-15-38(46)29-49(83)56(90)77-44(61(95)96)18-9-23-74-64(70)71/h1-4,11-14,38-49,51-52,84-85H,5-10,15-33,65H2,(H,75,89)(H,76,87)(H,77,90)(H,78,91)(H,79,86)(H,80,88)(H,95,96)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t38-,41?,42+,43-,44+,45-,46-,47-,48-,49?,51-,52+/m0/s1
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n/an/an/a 19.9n/an/an/an/an/a



Institute of Mutagenesis and Differentiation

Curated by ChEMBL


Assay Description
Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal smooth muscle.


J Med Chem 42: 409-14 (1999)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50408820
PNG
(CHEMBL335247)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCC(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C42H68N12O8/c43-29(15-10-20-49-41(44)45)36(57)52-30(16-11-21-50-42(46)47)37(58)48-19-9-3-1-2-4-18-35(56)51-31(25-55)38(59)53-24-28-14-6-5-12-26(28)22-33(53)39(60)54-32-17-8-7-13-27(32)23-34(54)40(61)62/h5-6,12,14,27,29-34,55H,1-4,7-11,13,15-25,43H2,(H,48,58)(H,51,56)(H,52,57)(H,61,62)(H4,44,45,49)(H4,46,47,50)/t27-,29+,30-,31-,32-,33+,34-/m0/s1
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n/an/an/a 3.98E+3n/an/an/an/an/a



Institute of Mutagenesis and Differentiation

Curated by ChEMBL


Assay Description
Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal smooth muscle.


J Med Chem 42: 409-14 (1999)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50408808
PNG
(CHEMBL265814)
Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1[C@H](C[C@@H]2CCCC[C@H]12)C(O)=O
Show InChI InChI=1S/C52H88N12O9/c53-26-14-12-21-38(55)46(67)61-40(22-13-15-27-54)48(69)62-39(23-17-29-59-52(56)57)47(68)58-28-16-6-4-2-1-3-5-7-25-44(66)60-41(33-65)49(70)63-45(37-30-34-18-8-9-19-35(34)31-37)50(71)64-42-24-11-10-20-36(42)32-43(64)51(72)73/h8-9,18-19,36-43,45,65H,1-7,10-17,20-33,53-55H2,(H,58,68)(H,60,66)(H,61,67)(H,62,69)(H,63,70)(H,72,73)(H4,56,57,59)/t36-,38-,39-,40-,41-,42-,43+,45+/m0/s1
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n/an/an/a 501n/an/an/an/an/a



Institute of Mutagenesis and Differentiation

Curated by ChEMBL


Assay Description
Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal smooth muscle.


J Med Chem 42: 409-14 (1999)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50408807
PNG
(CHEMBL384846)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1[C@@H](C[C@@H]2CCCC[C@H]12)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C52H88N16O9/c53-36(19-13-25-61-50(54)55)44(71)65-37(20-14-26-62-51(56)57)45(72)60-24-12-6-4-2-1-3-5-7-23-42(70)64-39(31-69)46(73)67-43(35-28-32-16-8-9-17-33(32)29-35)48(75)68-40-22-11-10-18-34(40)30-41(68)47(74)66-38(49(76)77)21-15-27-63-52(58)59/h8-9,16-17,34-41,43,69H,1-7,10-15,18-31,53H2,(H,60,72)(H,64,70)(H,65,71)(H,66,74)(H,67,73)(H,76,77)(H4,54,55,61)(H4,56,57,62)(H4,58,59,63)/t34-,36+,37-,38-,39-,40-,41-,43+/m0/s1
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n/an/an/a 1.00E+4n/an/an/an/an/a



Institute of Mutagenesis and Differentiation

Curated by ChEMBL


Assay Description
Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal smooth muscle.


J Med Chem 42: 409-14 (1999)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50408801
PNG
(CHEMBL337833)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1[C@H](C[C@H]2CCCC[C@@H]12)C(O)=O
Show InChI InChI=1S/C46H76N12O8/c47-33(18-13-23-53-45(48)49)40(61)56-34(19-14-24-54-46(50)51)41(62)52-22-12-6-4-2-1-3-5-7-21-38(60)55-35(28-59)42(63)57-39(32-25-29-15-8-9-16-30(29)26-32)43(64)58-36-20-11-10-17-31(36)27-37(58)44(65)66/h8-9,15-16,31-37,39,59H,1-7,10-14,17-28,47H2,(H,52,62)(H,55,60)(H,56,61)(H,57,63)(H,65,66)(H4,48,49,53)(H4,50,51,54)/t31-,33-,34+,35+,36-,37-,39-/m1/s1
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n/an/an/a 501n/an/an/an/an/a



Institute of Mutagenesis and Differentiation

Curated by ChEMBL


Assay Description
Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal smooth muscle.


J Med Chem 42: 409-14 (1999)

More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50408821
PNG
(CHEMBL424272 | MEN-11575)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
Show InChI InChI=1S/C45H74N12O8/c46-32(18-13-23-52-44(47)48)39(60)55-33(19-14-24-53-45(49)50)40(61)51-22-12-6-4-2-1-3-5-7-21-38(59)54-34(28-58)41(62)56-27-31-17-9-8-15-29(31)25-36(56)42(63)57-35-20-11-10-16-30(35)26-37(57)43(64)65/h8-9,15,17,30,32-37,58H,1-7,10-14,16,18-28,46H2,(H,51,61)(H,54,59)(H,55,60)(H,64,65)(H4,47,48,52)(H4,49,50,53)/t30-,32+,33-,34-,35-,36+,37-/m0/s1
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n/an/an/a 79.4n/an/an/an/an/a



Institute of Mutagenesis and Differentiation

Curated by ChEMBL


Assay Description
Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal smooth muscle.


J Med Chem 42: 409-14 (1999)

More data for this
Ligand-Target Pair
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