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Compile Data Set for Download or QSAR

Found 64 hits Enz. Inhib. hit(s) with all data for entry = 50034432   
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))
BDBM50362366
PNG
(CHEMBL1939755)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r,c:12|
Show InChI InChI=1S/C29H36N4O4S/c1-21-8-11-24(12-9-21)38(36,37)33-17-14-30-29(35)27(33)19-28(34)31-26-7-5-6-23-18-22(10-13-25(23)26)20-32-15-3-2-4-16-32/h8-14,17-18,26-27H,2-7,15-16,19-20H2,1H3,(H,30,35)(H,31,34)/t26-,27-/m1/s1
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0.0450n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344100
PNG
(2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-2-piper...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C29H38N4O4S/c1-21-8-11-24(12-9-21)38(36,37)33-17-14-30-29(35)27(33)19-28(34)31-26-7-5-6-23-18-22(10-13-25(23)26)20-32-15-3-2-4-16-32/h8-13,18,26-27H,2-7,14-17,19-20H2,1H3,(H,30,35)(H,31,34)/t26-,27-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362363
PNG
(CHEMBL1939758)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCC3)ccc12 |r,c:12|
Show InChI InChI=1S/C28H34N4O4S/c1-20-7-10-23(11-8-20)37(35,36)32-16-13-29-28(34)26(32)18-27(33)30-25-6-4-5-22-17-21(9-12-24(22)25)19-31-14-2-3-15-31/h7-13,16-17,25-26H,2-6,14-15,18-19H2,1H3,(H,29,34)(H,30,33)/t25-,26-/m1/s1
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0.197n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272456
PNG
(2-((R)-3-oxo-1-tosyl-1,2,3,4-tetrahydroquinoxalin-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1[C@H](CC(=O)N[C@@H]2CCOc3cc(CN4CCCCC4)ccc23)C(=O)Nc2ccccc12 |r|
Show InChI InChI=1S/C32H36N4O5S/c1-22-9-12-24(13-10-22)42(39,40)36-28-8-4-3-7-27(28)34-32(38)29(36)20-31(37)33-26-15-18-41-30-19-23(11-14-25(26)30)21-35-16-5-2-6-17-35/h3-4,7-14,19,26,29H,2,5-6,15-18,20-21H2,1H3,(H,33,37)(H,34,38)/t26-,29-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362361
PNG
(CHEMBL1939760)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNCC(C)(C)C)ccc12 |r,c:12|
Show InChI InChI=1S/C29H38N4O4S/c1-20-8-11-23(12-9-20)38(36,37)33-15-14-31-28(35)26(33)17-27(34)32-25-7-5-6-22-16-21(10-13-24(22)25)18-30-19-29(2,3)4/h8-16,25-26,30H,5-7,17-19H2,1-4H3,(H,31,35)(H,32,34)/t25-,26-/m1/s1
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0.480n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362362
PNG
(CHEMBL1939759)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC3CC3)ccc12 |r,c:12|
Show InChI InChI=1S/C27H32N4O4S/c1-18-5-10-22(11-6-18)36(34,35)31-14-13-28-27(33)25(31)16-26(32)30-24-4-2-3-20-15-19(7-12-23(20)24)17-29-21-8-9-21/h5-7,10-15,21,24-25,29H,2-4,8-9,16-17H2,1H3,(H,28,33)(H,30,32)/t24-,25-/m1/s1
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0.560n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362364
PNG
(CHEMBL1939757)
Show SMILES CN(C)Cc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@H]1N(C=CNC1=O)S(=O)(=O)c1ccc(C)cc1 |r,c:22|
Show InChI InChI=1S/C26H32N4O4S/c1-18-7-10-21(11-8-18)35(33,34)30-14-13-27-26(32)24(30)16-25(31)28-23-6-4-5-20-15-19(17-29(2)3)9-12-22(20)23/h7-15,23-24H,4-6,16-17H2,1-3H3,(H,27,32)(H,28,31)/t23-,24-/m1/s1
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1.25n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362365
PNG
(CHEMBL1939756)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN)ccc12 |r,c:12|
Show InChI InChI=1S/C24H28N4O4S/c1-16-5-8-19(9-6-16)33(31,32)28-12-11-26-24(30)22(28)14-23(29)27-21-4-2-3-18-13-17(15-25)7-10-20(18)21/h5-13,21-22H,2-4,14-15,25H2,1H3,(H,26,30)(H,27,29)/t21-,22-/m1/s1
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1.64n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344115
PNG
(CHEMBL1777973 | N-((R)-6-(aminomethyl)-1,2,3,4-tet...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN)ccc12 |r|
Show InChI InChI=1S/C24H30N4O4S/c1-16-5-8-19(9-6-16)33(31,32)28-12-11-26-24(30)22(28)14-23(29)27-21-4-2-3-18-13-17(15-25)7-10-20(18)21/h5-10,13,21-22H,2-4,11-12,14-15,25H2,1H3,(H,26,30)(H,27,29)/t21-,22-/m1/s1
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60n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362363
PNG
(CHEMBL1939758)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCC3)ccc12 |r,c:12|
Show InChI InChI=1S/C28H34N4O4S/c1-20-7-10-23(11-8-20)37(35,36)32-16-13-29-28(34)26(32)18-27(33)30-25-6-4-5-22-17-21(9-12-24(22)25)19-31-14-2-3-15-31/h7-13,16-17,25-26H,2-6,14-15,18-19H2,1H3,(H,29,34)(H,30,33)/t25-,26-/m1/s1
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n/an/a 0.0840n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362366
PNG
(CHEMBL1939755)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r,c:12|
Show InChI InChI=1S/C29H36N4O4S/c1-21-8-11-24(12-9-21)38(36,37)33-17-14-30-29(35)27(33)19-28(34)31-26-7-5-6-23-18-22(10-13-25(23)26)20-32-15-3-2-4-16-32/h8-14,17-18,26-27H,2-7,15-16,19-20H2,1H3,(H,30,35)(H,31,34)/t26-,27-/m1/s1
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n/an/a 0.115n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362364
PNG
(CHEMBL1939757)
Show SMILES CN(C)Cc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@H]1N(C=CNC1=O)S(=O)(=O)c1ccc(C)cc1 |r,c:22|
Show InChI InChI=1S/C26H32N4O4S/c1-18-7-10-21(11-8-18)35(33,34)30-14-13-27-26(32)24(30)16-25(31)28-23-6-4-5-20-15-19(17-29(2)3)9-12-22(20)23/h7-15,23-24H,4-6,16-17H2,1-3H3,(H,27,32)(H,28,31)/t23-,24-/m1/s1
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n/an/a 0.210n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362324
PNG
(CHEMBL1939944)
Show SMILES CN1CC[C@H](NC(=O)C[C@H]2N(C=CNC2=O)S(=O)(=O)c2cccc(Cl)c2Cl)C(C)(C)C1 |r,c:11|
Show InChI InChI=1S/C20H26Cl2N4O4S/c1-20(2)12-25(3)9-7-16(20)24-17(27)11-14-19(28)23-8-10-26(14)31(29,30)15-6-4-5-13(21)18(15)22/h4-6,8,10,14,16H,7,9,11-12H2,1-3H3,(H,23,28)(H,24,27)/t14-,16+/m1/s1
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n/an/a 0.220n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344100
PNG
(2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-2-piper...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C29H38N4O4S/c1-21-8-11-24(12-9-21)38(36,37)33-17-14-30-29(35)27(33)19-28(34)31-26-7-5-6-23-18-22(10-13-25(23)26)20-32-15-3-2-4-16-32/h8-13,18,26-27H,2-7,14-17,19-20H2,1H3,(H,30,35)(H,31,34)/t26-,27-/m1/s1
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n/an/a 0.220n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362362
PNG
(CHEMBL1939759)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC3CC3)ccc12 |r,c:12|
Show InChI InChI=1S/C27H32N4O4S/c1-18-5-10-22(11-6-18)36(34,35)31-14-13-28-27(33)25(31)16-26(32)30-24-4-2-3-20-15-19(7-12-23(20)24)17-29-21-8-9-21/h5-7,10-15,21,24-25,29H,2-4,8-9,16-17H2,1H3,(H,28,33)(H,30,32)/t24-,25-/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362329
PNG
(CHEMBL1939939)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@H]1CCN(CC1(C)C)C1CCCC1 |r,c:12|
Show InChI InChI=1S/C25H36N4O4S/c1-18-8-10-20(11-9-18)34(32,33)29-15-13-26-24(31)21(29)16-23(30)27-22-12-14-28(17-25(22,2)3)19-6-4-5-7-19/h8-11,13,15,19,21-22H,4-7,12,14,16-17H2,1-3H3,(H,26,31)(H,27,30)/t21-,22+/m1/s1
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n/an/a 0.247n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362328
PNG
(CHEMBL1939941)
Show SMILES CC1(C)CNCC[C@@H]1NC(=O)C[C@H]1N(C=CNC1=O)S(=O)(=O)c1cccc(Cl)c1Cl |r,c:15|
Show InChI InChI=1S/C19H24Cl2N4O4S/c1-19(2)11-22-7-6-15(19)24-16(26)10-13-18(27)23-8-9-25(13)30(28,29)14-5-3-4-12(20)17(14)21/h3-5,8-9,13,15,22H,6-7,10-11H2,1-2H3,(H,23,27)(H,24,26)/t13-,15+/m1/s1
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n/an/a 0.280n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362325
PNG
(CHEMBL1939943)
Show SMILES CN1CC[C@H](NC(=O)C[C@H]2N(C=CNC2=O)S(=O)(=O)c2cc(C)c(Cl)cc2C)C(C)(C)C1 |r,c:11|
Show InChI InChI=1S/C22H31ClN4O4S/c1-14-11-18(15(2)10-16(14)23)32(30,31)27-9-7-24-21(29)17(27)12-20(28)25-19-6-8-26(5)13-22(19,3)4/h7,9-11,17,19H,6,8,12-13H2,1-5H3,(H,24,29)(H,25,28)/t17-,19+/m1/s1
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n/an/a 0.280n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362365
PNG
(CHEMBL1939756)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN)ccc12 |r,c:12|
Show InChI InChI=1S/C24H28N4O4S/c1-16-5-8-19(9-6-16)33(31,32)28-12-11-26-24(30)22(28)14-23(29)27-21-4-2-3-18-13-17(15-25)7-10-20(18)21/h5-13,21-22H,2-4,14-15,25H2,1H3,(H,26,30)(H,27,29)/t21-,22-/m1/s1
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n/an/a 0.280n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362326
PNG
(CHEMBL1939942)
Show SMILES Cc1cc(c(C)cc1Cl)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@H]1CCNCC1(C)C |r,c:14|
Show InChI InChI=1S/C21H29ClN4O4S/c1-13-10-17(14(2)9-15(13)22)31(29,30)26-8-7-24-20(28)16(26)11-19(27)25-18-5-6-23-12-21(18,3)4/h7-10,16,18,23H,5-6,11-12H2,1-4H3,(H,24,28)(H,25,27)/t16-,18+/m1/s1
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n/an/a 0.310n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362361
PNG
(CHEMBL1939760)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNCC(C)(C)C)ccc12 |r,c:12|
Show InChI InChI=1S/C29H38N4O4S/c1-20-8-11-23(12-9-20)38(36,37)33-15-14-31-28(35)26(33)17-27(34)32-25-7-5-6-22-16-21(10-13-24(22)25)18-30-19-29(2,3)4/h8-16,25-26,30H,5-7,17-19H2,1-4H3,(H,31,35)(H,32,34)/t25-,26-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362337
PNG
(CHEMBL1939931)
Show SMILES CN1CC[C@H](NC(=O)C[C@H]2N(C=CNC2=O)S(=O)(=O)c2ccc(C)cc2)C(C)(C)C1 |r,c:11|
Show InChI InChI=1S/C21H30N4O4S/c1-15-5-7-16(8-6-15)30(28,29)25-12-10-22-20(27)17(25)13-19(26)23-18-9-11-24(4)14-21(18,2)3/h5-8,10,12,17-18H,9,11,13-14H2,1-4H3,(H,22,27)(H,23,26)/t17-,18+/m1/s1
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n/an/a 0.420n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362338
PNG
(CHEMBL1939929)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@H]1CCNCC1(C)C |r,c:12|
Show InChI InChI=1S/C20H28N4O4S/c1-14-4-6-15(7-5-14)29(27,28)24-11-10-22-19(26)16(24)12-18(25)23-17-8-9-21-13-20(17,2)3/h4-7,10-11,16-17,21H,8-9,12-13H2,1-3H3,(H,22,26)(H,23,25)/t16-,17+/m1/s1
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n/an/a 0.430n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362335
PNG
(CHEMBL1939933)
Show SMILES CCCN1CC[C@H](NC(=O)C[C@H]2N(C=CNC2=O)S(=O)(=O)c2ccc(C)cc2)C(C)(C)C1 |r,c:13|
Show InChI InChI=1S/C23H34N4O4S/c1-5-12-26-13-10-20(23(3,4)16-26)25-21(28)15-19-22(29)24-11-14-27(19)32(30,31)18-8-6-17(2)7-9-18/h6-9,11,14,19-20H,5,10,12-13,15-16H2,1-4H3,(H,24,29)(H,25,28)/t19-,20+/m1/s1
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n/an/a 0.510n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362336
PNG
(CHEMBL1939932)
Show SMILES CCN1CC[C@H](NC(=O)C[C@H]2N(C=CNC2=O)S(=O)(=O)c2ccc(C)cc2)C(C)(C)C1 |r,c:12|
Show InChI InChI=1S/C22H32N4O4S/c1-5-25-12-10-19(22(3,4)15-25)24-20(27)14-18-21(28)23-11-13-26(18)31(29,30)17-8-6-16(2)7-9-17/h6-9,11,13,18-19H,5,10,12,14-15H2,1-4H3,(H,23,28)(H,24,27)/t18-,19+/m1/s1
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n/an/a 0.630n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362327
PNG
(CHEMBL1939940)
Show SMILES CC1(C)CNCC[C@@H]1NC(=O)C[C@H]1N(C=CNC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r,c:15|
Show InChI InChI=1S/C19H24Cl2N4O4S/c1-19(2)11-22-6-5-16(19)24-17(26)10-15-18(27)23-7-8-25(15)30(28,29)12-3-4-13(20)14(21)9-12/h3-4,7-9,15-16,22H,5-6,10-11H2,1-2H3,(H,23,27)(H,24,26)/t15-,16+/m1/s1
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n/an/a 0.650n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362330
PNG
(CHEMBL1939938)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@H]1CCN(CC1(C)C)C1CCC1 |r,c:12|
Show InChI InChI=1S/C24H34N4O4S/c1-17-7-9-19(10-8-17)33(31,32)28-14-12-25-23(30)20(28)15-22(29)26-21-11-13-27(16-24(21,2)3)18-5-4-6-18/h7-10,12,14,18,20-21H,4-6,11,13,15-16H2,1-3H3,(H,25,30)(H,26,29)/t20-,21+/m1/s1
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n/an/a 0.740n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362333
PNG
(CHEMBL1939934)
Show SMILES CC(C)CN1CC[C@H](NC(=O)C[C@H]2N(C=CNC2=O)S(=O)(=O)c2ccc(C)cc2)C(C)(C)C1 |r,c:14|
Show InChI InChI=1S/C24H36N4O4S/c1-17(2)15-27-12-10-21(24(4,5)16-27)26-22(29)14-20-23(30)25-11-13-28(20)33(31,32)19-8-6-18(3)7-9-19/h6-9,11,13,17,20-21H,10,12,14-16H2,1-5H3,(H,25,30)(H,26,29)/t20-,21+/m1/s1
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n/an/a 0.860n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362332
PNG
(CHEMBL1939936)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C |r,c:12|
Show InChI InChI=1S/C27H34N4O4S/c1-20-9-11-22(12-10-20)36(34,35)31-16-14-28-26(33)23(31)17-25(32)29-24-13-15-30(19-27(24,2)3)18-21-7-5-4-6-8-21/h4-12,14,16,23-24H,13,15,17-19H2,1-3H3,(H,28,33)(H,29,32)/t23-,24+/m1/s1
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n/an/a 1.09n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362331
PNG
(CHEMBL1939937)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@H]1CCN(CC1(C)C)C1CC1 |r,c:12|
Show InChI InChI=1S/C23H32N4O4S/c1-16-4-8-18(9-5-16)32(30,31)27-13-11-24-22(29)19(27)14-21(28)25-20-10-12-26(17-6-7-17)15-23(20,2)3/h4-5,8-9,11,13,17,19-20H,6-7,10,12,14-15H2,1-3H3,(H,24,29)(H,25,28)/t19-,20+/m1/s1
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n/an/a 1.12n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362348
PNG
(CHEMBL1939921)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc12 |r,c:12|
Show InChI InChI=1S/C22H23N3O6S2/c1-15-6-8-16(9-7-15)33(30,31)25-12-11-23-22(27)19(25)14-21(26)24-18-10-13-32(28,29)20-5-3-2-4-17(18)20/h2-9,11-12,18-19H,10,13-14H2,1H3,(H,23,27)(H,24,26)/t18-,19-/m1/s1
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n/an/a 1.32n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362334
PNG
(CHEMBL1939935)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@H]1CCN(CC(C)(C)C)CC1(C)C |r,c:12|
Show InChI InChI=1S/C25H38N4O4S/c1-18-7-9-19(10-8-18)34(32,33)29-14-12-26-23(31)20(29)15-22(30)27-21-11-13-28(16-24(2,3)4)17-25(21,5)6/h7-10,12,14,20-21H,11,13,15-17H2,1-6H3,(H,26,31)(H,27,30)/t20-,21+/m1/s1
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n/an/a 1.38n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362347
PNG
(CHEMBL1939920)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCC(O)c2ccccc12 |r,c:12|
Show InChI InChI=1S/C23H25N3O5S/c1-15-6-8-16(9-7-15)32(30,31)26-13-12-24-23(29)20(26)14-22(28)25-19-10-11-21(27)18-5-3-2-4-17(18)19/h2-9,12-13,19-21,27H,10-11,14H2,1H3,(H,24,29)(H,25,28)/t19-,20-,21?/m1/s1
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n/an/a 1.47n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362314
PNG
(CHEMBL1939953)
Show SMILES CN1CCC2(CCN(C2)C(=O)C[C@H]2N(C=CNC2=O)S(=O)(=O)c2cc(C)c(Cl)cc2C)C1 |r,c:15|
Show InChI InChI=1S/C22H29ClN4O4S/c1-15-11-19(16(2)10-17(15)23)32(30,31)27-9-6-24-21(29)18(27)12-20(28)26-8-5-22(14-26)4-7-25(3)13-22/h6,9-11,18H,4-5,7-8,12-14H2,1-3H3,(H,24,29)/t18-,22?/m1/s1
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n/an/a 1.53n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362317
PNG
(CHEMBL1938412)
Show SMILES CN(C)C1CCCN(CC1)C(=O)C[C@H]1N(C=CNC1=O)S(=O)(=O)c1cc(C)c(Cl)cc1C |r,c:16|
Show InChI InChI=1S/C22H31ClN4O4S/c1-15-13-20(16(2)12-18(15)23)32(30,31)27-11-8-24-22(29)19(27)14-21(28)26-9-5-6-17(7-10-26)25(3)4/h8,11-13,17,19H,5-7,9-10,14H2,1-4H3,(H,24,29)/t17?,19-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362360
PNG
(CHEMBL1939761)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2ccccc12 |r,c:12|
Show InChI InChI=1S/C23H25N3O4S/c1-16-9-11-18(12-10-16)31(29,30)26-14-13-24-23(28)21(26)15-22(27)25-20-8-4-6-17-5-2-3-7-19(17)20/h2-3,5,7,9-14,20-21H,4,6,8,15H2,1H3,(H,24,28)(H,25,27)/t20-,21-/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362316
PNG
(CHEMBL1939951)
Show SMILES CN(C)C1CCCCN(CC1)C(=O)C[C@H]1N(C=CNC1=O)S(=O)(=O)c1cc(C)c(Cl)cc1C |r,c:17|
Show InChI InChI=1S/C23H33ClN4O4S/c1-16-14-21(17(2)13-19(16)24)33(31,32)28-12-9-25-23(30)20(28)15-22(29)27-10-6-5-7-18(8-11-27)26(3)4/h9,12-14,18,20H,5-8,10-11,15H2,1-4H3,(H,25,30)/t18?,20-/m1/s1
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n/an/a 4.75n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362349
PNG
(CHEMBL1939772)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCC2(OCCO2)c2ccccc12 |r,c:12|
Show InChI InChI=1S/C25H27N3O6S/c1-17-6-8-18(9-7-17)35(31,32)28-13-12-26-24(30)22(28)16-23(29)27-21-10-11-25(33-14-15-34-25)20-5-3-2-4-19(20)21/h2-9,12-13,21-22H,10-11,14-16H2,1H3,(H,26,30)(H,27,29)/t21-,22-/m1/s1
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n/an/a 7.51n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362356
PNG
(CHEMBL1939765)
Show SMILES COc1ccc2C(CCCc2c1)NC(=O)C[C@H]1N(C=CNC1=O)S(=O)(=O)c1ccc(C)cc1 |r,c:20|
Show InChI InChI=1S/C24H27N3O5S/c1-16-6-9-19(10-7-16)33(30,31)27-13-12-25-24(29)22(27)15-23(28)26-21-5-3-4-17-14-18(32-2)8-11-20(17)21/h6-14,21-22H,3-5,15H2,1-2H3,(H,25,29)(H,26,28)/t21?,22-/m1/s1
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n/an/a 8.95n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362343
PNG
(CHEMBL1939925)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)NC1CCCCC1(C)C |r,c:12|
Show InChI InChI=1S/C21H29N3O4S/c1-15-7-9-16(10-8-15)29(27,28)24-13-12-22-20(26)17(24)14-19(25)23-18-6-4-5-11-21(18,2)3/h7-10,12-13,17-18H,4-6,11,14H2,1-3H3,(H,22,26)(H,23,25)/t17-,18?/m1/s1
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n/an/a 17.7n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362354
PNG
(CHEMBL1939767)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCOc2ccccc12 |r,c:12|
Show InChI InChI=1S/C22H23N3O5S/c1-15-6-8-16(9-7-15)31(28,29)25-12-11-23-22(27)19(25)14-21(26)24-18-10-13-30-20-5-3-2-4-17(18)20/h2-9,11-12,18-19H,10,13-14H2,1H3,(H,23,27)(H,24,26)/t18-,19-/m1/s1
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n/an/a 18.7n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362321
PNG
(CHEMBL1939947)
Show SMILES Cc1cc(c(C)cc1Cl)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N1CC[C@@H](C1)N1CCCC1 |r,c:14|
Show InChI InChI=1S/C22H29ClN4O4S/c1-15-12-20(16(2)11-18(15)23)32(30,31)27-10-6-24-22(29)19(27)13-21(28)26-9-5-17(14-26)25-7-3-4-8-25/h6,10-12,17,19H,3-5,7-9,13-14H2,1-2H3,(H,24,29)/t17-,19+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362323
PNG
(CHEMBL1939945)
Show SMILES CN(C)[C@H]1CCN(C1)C(=O)C[C@H]1N(C=CNC1=O)S(=O)(=O)c1cccc(Cl)c1Cl |r,c:14|
Show InChI InChI=1S/C18H22Cl2N4O4S/c1-22(2)12-6-8-23(11-12)16(25)10-14-18(26)21-7-9-24(14)29(27,28)15-5-3-4-13(19)17(15)20/h3-5,7,9,12,14H,6,8,10-11H2,1-2H3,(H,21,26)/t12-,14+/m0/s1
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n/an/a 20.3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362352
PNG
(CHEMBL1939768)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)NC1CCNc2ccccc12 |r,c:12|
Show InChI InChI=1S/C22H24N4O4S/c1-15-6-8-16(9-7-15)31(29,30)26-13-12-24-22(28)20(26)14-21(27)25-19-10-11-23-18-5-3-2-4-17(18)19/h2-9,12-13,19-20,23H,10-11,14H2,1H3,(H,24,28)(H,25,27)/t19?,20-/m1/s1
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n/an/a 21.6n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362319
PNG
(CHEMBL1939950)
Show SMILES Cc1cc(c(C)cc1Cl)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N1CCCC[C@@H](C1)N1CCCC1 |r,c:14|
Show InChI InChI=1S/C24H33ClN4O4S/c1-17-14-22(18(2)13-20(17)25)34(32,33)29-12-8-26-24(31)21(29)15-23(30)28-11-4-3-7-19(16-28)27-9-5-6-10-27/h8,12-14,19,21H,3-7,9-11,15-16H2,1-2H3,(H,26,31)/t19-,21+/m0/s1
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n/an/a 23.4n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362340
PNG
(CHEMBL1939928)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)NC1CCOCC1(C)C |r,c:12|
Show InChI InChI=1S/C20H27N3O5S/c1-14-4-6-15(7-5-14)29(26,27)23-10-9-21-19(25)16(23)12-18(24)22-17-8-11-28-13-20(17,2)3/h4-7,9-10,16-17H,8,11-13H2,1-3H3,(H,21,25)(H,22,24)/t16-,17?/m1/s1
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n/an/a 25.2n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362344
PNG
(CHEMBL1939924)
Show SMILES CC1CCCCC1NC(=O)C[C@H]1N(C=CNC1=O)S(=O)(=O)c1ccc(C)cc1 |r,c:14|
Show InChI InChI=1S/C20H27N3O4S/c1-14-7-9-16(10-8-14)28(26,27)23-12-11-21-20(25)18(23)13-19(24)22-17-6-4-3-5-15(17)2/h7-12,15,17-18H,3-6,13H2,1-2H3,(H,21,25)(H,22,24)/t15?,17?,18-/m1/s1
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n/an/a 25.9n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362355
PNG
(CHEMBL1939766)
Show SMILES COc1cccc2C(CCCc12)NC(=O)C[C@H]1N(C=CNC1=O)S(=O)(=O)c1ccc(C)cc1 |r,c:20|
Show InChI InChI=1S/C24H27N3O5S/c1-16-9-11-17(12-10-16)33(30,31)27-14-13-25-24(29)21(27)15-23(28)26-20-7-3-6-19-18(20)5-4-8-22(19)32-2/h4-5,8-14,20-21H,3,6-7,15H2,1-2H3,(H,25,29)(H,26,28)/t20?,21-/m1/s1
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n/an/a 36.1n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362318
PNG
(CHEMBL1939949)
Show SMILES Cc1cc(c(C)cc1Cl)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N1CCC[C@@H](C1)N1CCCC1 |r,c:14|
Show InChI InChI=1S/C23H31ClN4O4S/c1-16-13-21(17(2)12-19(16)24)33(31,32)28-11-7-25-23(30)20(28)14-22(29)27-10-5-6-18(15-27)26-8-3-4-9-26/h7,11-13,18,20H,3-6,8-10,14-15H2,1-2H3,(H,25,30)/t18-,20+/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362350
PNG
(CHEMBL1939771)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCC(=O)c2ccccc12 |r,c:12|
Show InChI InChI=1S/C23H23N3O5S/c1-15-6-8-16(9-7-15)32(30,31)26-13-12-24-23(29)20(26)14-22(28)25-19-10-11-21(27)18-5-3-2-4-17(18)19/h2-9,12-13,19-20H,10-11,14H2,1H3,(H,24,29)(H,25,28)/t19-,20-/m1/s1
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n/an/a 40.8n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
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