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Compile Data Set for Download or QSAR

Found 270 hits with Last Name = 'viswanadhan' and Initial = 'vn'   
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))
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 |r,t:27|
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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0.0340n/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 by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272453
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)C(=O)Nc2ccccc12 |r|
Show InChI InChI=1S/C32H34Cl2N4O4S/c33-25-14-12-23(18-26(25)34)43(41,42)38-29-10-3-2-8-28(29)36-32(40)30(38)19-31(39)35-27-9-6-7-22-17-21(11-13-24(22)27)20-37-15-4-1-5-16-37/h2-3,8,10-14,17-18,27,30H,1,4-7,9,15-16,19-20H2,(H,35,39)(H,36,40)/t27-,30-/m1/s1
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0.100n/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 by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272452
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)N[C@@H]2CCOc3cc(CN4CCCCC4)ccc23)C(=O)Nc2ccccc12 |r|
Show InChI InChI=1S/C31H32Cl2N4O5S/c32-23-11-9-21(17-24(23)33)43(40,41)37-27-7-3-2-6-26(27)35-31(39)28(37)18-30(38)34-25-12-15-42-29-16-20(8-10-22(25)29)19-36-13-4-1-5-14-36/h2-3,6-11,16-17,25,28H,1,4-5,12-15,18-19H2,(H,34,38)(H,35,39)/t25-,28-/m1/s1
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0.150n/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 by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272455
PNG
(2-((R)-3-oxo-1-(phenylsulfonyl)-1,2,3,4-tetrahydro...)
Show SMILES O=C(C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C31H34N4O5S/c36-30(32-25-15-18-40-29-19-22(13-14-24(25)29)21-34-16-7-2-8-17-34)20-28-31(37)33-26-11-5-6-12-27(26)35(28)41(38,39)23-9-3-1-4-10-23/h1,3-6,9-14,19,25,28H,2,7-8,15-18,20-21H2,(H,32,36)(H,33,37)/t25-,28-/m1/s1
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0.190n/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 by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203205
PNG
((R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34-/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 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
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 by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272450
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES CC(C)CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C30H32Cl2N4O5S/c1-18(2)16-33-17-19-7-9-21-24(11-12-41-28(21)13-19)34-29(37)15-27-30(38)35-25-5-3-4-6-26(25)36(27)42(39,40)20-8-10-22(31)23(32)14-20/h3-10,13-14,18,24,27,33H,11-12,15-17H2,1-2H3,(H,34,37)(H,35,38)/t24-,27-/m1/s1
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0.440n/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 by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272449
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES CC(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C29H30Cl2N4O5S/c1-17(2)32-16-18-7-9-20-23(11-12-40-27(20)13-18)33-28(36)15-26-29(37)34-24-5-3-4-6-25(24)35(26)41(38,39)19-8-10-21(30)22(31)14-19/h3-10,13-14,17,23,26,32H,11-12,15-16H2,1-2H3,(H,33,36)(H,34,37)/t23-,26-/m1/s1
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0.700n/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 by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
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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0.770n/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 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272451
PNG
(CHEMBL508043 | N-((R)-7-((tert-butylamino)methyl)c...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C30H32Cl2N4O5S/c1-30(2,3)33-17-18-8-10-20-23(12-13-41-27(20)14-18)34-28(37)16-26-29(38)35-24-6-4-5-7-25(24)36(26)42(39,40)19-9-11-21(31)22(32)15-19/h4-11,14-15,23,26,33H,12-13,16-17H2,1-3H3,(H,34,37)(H,35,38)/t23-,26-/m1/s1
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1.10n/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 by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272447
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C27H26Cl2N4O5S/c1-30-15-16-6-8-18-21(10-11-38-25(18)12-16)31-26(34)14-24-27(35)32-22-4-2-3-5-23(22)33(24)39(36,37)17-7-9-19(28)20(29)13-17/h2-9,12-13,21,24,30H,10-11,14-15H2,1H3,(H,31,34)(H,32,35)/t21-,24-/m1/s1
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1.20n/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 by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203199
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES CN1c2cc(CN3CCCCC3)ccc2[C@H](CS1(=O)=O)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C34H38N4O5S2/c1-37-33-20-25(23-38-18-8-3-9-19-38)14-17-30(33)32(24-44(37,40)41)35-34(39)22-31(27-11-4-2-5-12-27)36-45(42,43)29-16-15-26-10-6-7-13-28(26)21-29/h2,4-7,10-17,20-21,31-32,36H,3,8-9,18-19,22-24H2,1H3,(H,35,39)/t31-,32+/m1/s1
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1.30n/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 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203211
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]1CCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33-/m1/s1
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1.60n/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 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272448
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES CN(C)Cc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C28H28Cl2N4O5S/c1-33(2)16-17-7-9-19-22(11-12-39-26(19)13-17)31-27(35)15-25-28(36)32-23-5-3-4-6-24(23)34(25)40(37,38)18-8-10-20(29)21(30)14-18/h3-10,13-14,22,25H,11-12,15-16H2,1-2H3,(H,31,35)(H,32,36)/t22-,25-/m1/s1
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1.70n/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 by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272454
PNG
(CHEMBL525092 | N-((R)-7-((tert-butylamino)methyl)c...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O5S/c1-30(2,3)31-19-20-13-14-22-23(15-16-39-27(22)17-20)32-28(35)18-26-29(36)33-24-11-7-8-12-25(24)34(26)40(37,38)21-9-5-4-6-10-21/h4-14,17,23,26,31H,15-16,18-19H2,1-3H3,(H,32,35)(H,33,36)/t23-,26-/m1/s1
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1.80n/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 by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272416
PNG
(CHEMBL496459 | N-((R)-7-(aminomethyl)chroman-4-yl)...)
Show SMILES NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C26H24Cl2N4O5S/c27-18-8-6-16(12-19(18)28)38(35,36)32-22-4-2-1-3-21(22)31-26(34)23(32)13-25(33)30-20-9-10-37-24-11-15(14-29)5-7-17(20)24/h1-8,11-12,20,23H,9-10,13-14,29H2,(H,30,33)(H,31,34)/t20-,23-/m1/s1
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2.60n/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 by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203210
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES CN1c2cc(CN3CCCCC3)ccc2[C@@H](CS1(=O)=O)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C34H38N4O5S2/c1-37-33-20-25(23-38-18-8-3-9-19-38)14-17-30(33)32(24-44(37,40)41)35-34(39)22-31(27-11-4-2-5-12-27)36-45(42,43)29-16-15-26-10-6-7-13-28(26)21-29/h2,4-7,10-17,20-21,31-32,36H,3,8-9,18-19,22-24H2,1H3,(H,35,39)/t31-,32-/m1/s1
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15.8n/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 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203206
PNG
((R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES C[C@@H](NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C33H37N3O3S/c1-25(27-16-14-26(15-17-27)24-36-20-8-3-9-21-36)34-33(37)23-32(29-11-4-2-5-12-29)35-40(38,39)31-19-18-28-10-6-7-13-30(28)22-31/h2,4-7,10-19,22,25,32,35H,3,8-9,20-21,23-24H2,1H3,(H,34,37)/t25-,32-/m1/s1
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17n/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 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203197
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
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+/m0/s1
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17n/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 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50182221
PNG
(CHEMBL381366 | N-((R)-6-((tert-butylamino)methyl)-...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C29H38F3N3O3S/c1-28(2,3)33-19-20-13-14-25-21(16-20)8-6-12-26(25)34-27(36)18-23-10-4-5-15-35(23)39(37,38)24-11-7-9-22(17-24)29(30,31)32/h7,9,11,13-14,16-17,23,26,33H,4-6,8,10,12,15,18-19H2,1-3H3,(H,34,36)/t23-,26+/m0/s1
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23n/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 by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203208
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34+/m0/s1
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31n/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 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50041151
PNG
(CHEMBL15561 | N-((1S,2S)-1-Benzyl-2-hydroxy-4-{[(1...)
Show SMILES O[C@@H](CCC(=O)NC(c1cc2ccccc2[nH]1)c1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)c1ccc2ccccc2n1)C(O)=O
Show InChI InChI=1S/C42H38F3N5O6/c43-42(44,45)29-14-8-13-28(22-29)39(34-23-27-12-5-7-16-31(27)47-34)50-37(52)20-19-36(51)33(21-25-9-2-1-3-10-25)48-38(53)24-35(41(55)56)49-40(54)32-18-17-26-11-4-6-15-30(26)46-32/h1-18,22-23,33,35-36,39,47,51H,19-21,24H2,(H,48,53)(H,49,54)(H,50,52)(H,55,56)/t33-,35?,36-,39?/m0/s1
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33n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HIV -1 protease


J Med Chem 37: 1145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2TM795W
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50041153
PNG
(CHEMBL278413 | N-((1S,2S)-1-Benzyl-2-hydroxy-4-{[(...)
Show SMILES Cc1cccc(c1)C(NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)c1ccc2ccccc2n1)C(O)=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C42H41N5O6/c1-26-10-9-15-30(22-26)40(35-24-29-14-6-8-17-32(29)44-35)47-38(49)21-20-37(48)34(23-27-11-3-2-4-12-27)45-39(50)25-36(42(52)53)46-41(51)33-19-18-28-13-5-7-16-31(28)43-33/h2-19,22,24,34,36-37,40,44,48H,20-21,23,25H2,1H3,(H,45,50)(H,46,51)(H,47,49)(H,52,53)/t34-,36?,37-,40?/m0/s1
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39n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HIV -1 protease


J Med Chem 37: 1145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2TM795W
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM905
PNG
((4S,5S)-5-[(2S)-2-[(2S)-2-aminopropanamido]propana...)
Show SMILES C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC(c1cc2ccccc2[nH]1)c1ccccc1 |r|
Show InChI InChI=1S/C33H39N5O4/c1-21(34)32(41)35-22(2)33(42)37-27(19-23-11-5-3-6-12-23)29(39)17-18-30(40)38-31(24-13-7-4-8-14-24)28-20-25-15-9-10-16-26(25)36-28/h3-16,20-22,27,29,31,36,39H,17-19,34H2,1-2H3,(H,35,41)(H,37,42)(H,38,40)/t21-,22-,27-,29-,31?/m0/s1
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43n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HIV -1 protease


J Med Chem 37: 1145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2TM795W
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272478
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)N[C@@H]2CCOc3cc(C=O)ccc23)C(=O)Nc2ccccc12 |r|
Show InChI InChI=1S/C26H21Cl2N3O6S/c27-18-8-6-16(12-19(18)28)38(35,36)31-22-4-2-1-3-21(22)30-26(34)23(31)13-25(33)29-20-9-10-37-24-11-15(14-32)5-7-17(20)24/h1-8,11-12,14,20,23H,9-10,13H2,(H,29,33)(H,30,34)/t20-,23-/m1/s1
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57n/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 by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272477
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES OCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C26H23Cl2N3O6S/c27-18-8-6-16(12-19(18)28)38(35,36)31-22-4-2-1-3-21(22)30-26(34)23(31)13-25(33)29-20-9-10-37-24-11-15(14-32)5-7-17(20)24/h1-8,11-12,20,23,32H,9-10,13-14H2,(H,29,33)(H,30,34)/t20-,23-/m1/s1
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86n/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 by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203202
PNG
((R)-N-(4-(piperidin-1-ylmethyl)benzyl)-3-(naphthal...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C32H35N3O3S/c36-32(33-23-25-13-15-26(16-14-25)24-35-19-7-2-8-20-35)22-31(28-10-3-1-4-11-28)34-39(37,38)30-18-17-27-9-5-6-12-29(27)21-30/h1,3-6,9-18,21,31,34H,2,7-8,19-20,22-24H2,(H,33,36)/t31-/m1/s1
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132n/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 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203203
PNG
((S)-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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143n/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 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50041152
PNG
(CHEMBL278745 | N-((1S,2S)-1-Benzyl-2-hydroxy-4-{[(...)
Show SMILES O[C@@H](CCC(=O)NC(c1cc2ccccc2[nH]1)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)c1ccc2ccccc2n1)C(O)=O
Show InChI InChI=1S/C41H39N5O6/c47-36(21-22-37(48)46-39(28-14-5-2-6-15-28)34-24-29-16-8-10-18-31(29)43-34)33(23-26-11-3-1-4-12-26)44-38(49)25-35(41(51)52)45-40(50)32-20-19-27-13-7-9-17-30(27)42-32/h1-20,24,33,35-36,39,43,47H,21-23,25H2,(H,44,49)(H,45,50)(H,46,48)(H,51,52)/t33-,35?,36-,39?/m0/s1
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200n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HIV -1 protease


J Med Chem 37: 1145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2TM795W
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203207
PNG
(3-(RS)-N-(4-(piperidin-1-ylmethyl)benzyl)-3-(napht...)
Show SMILES O=C(CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C32H35N3O3S/c36-32(33-23-25-13-15-26(16-14-25)24-35-19-7-2-8-20-35)22-31(28-10-3-1-4-11-28)34-39(37,38)30-18-17-27-9-5-6-12-29(27)21-30/h1,3-6,9-18,21,31,34H,2,7-8,19-20,22-24H2,(H,33,36)
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382n/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 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272415
PNG
(2-(1-(mesitylsulfonyl)-3-oxo-1,2,3,4-tetrahydronox...)
Show SMILES COc1ccccc1NC(=O)CC1N(c2ccccc2NC1=O)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C26H27N3O5S/c1-16-13-17(2)25(18(3)14-16)35(32,33)29-21-11-7-5-9-19(21)28-26(31)22(29)15-24(30)27-20-10-6-8-12-23(20)34-4/h5-14,22H,15H2,1-4H3,(H,27,30)(H,28,31)
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500n/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 by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM904
PNG
((4S,5S)-5-[(2S)-2-[(2S)-2-aminopropanamido]propana...)
Show SMILES C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C31H38N4O4/c1-21(32)30(38)33-22(2)31(39)34-26(20-23-12-6-3-7-13-23)27(36)18-19-28(37)35-29(24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,21-22,26-27,29,36H,18-20,32H2,1-2H3,(H,33,38)(H,34,39)(H,35,37)/t21-,22-,26-,27-/m0/s1
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1.67E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HIV -1 protease


J Med Chem 37: 1145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2TM795W
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203204
PNG
((S)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
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-/m0/s1
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1.90E+3n/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 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM906
PNG
((4S,5S)-5-[(2S)-2-[(2S)-2-aminopropanamido]propana...)
Show SMILES C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC(c1nc2ccccc2[nH]1)c1ccccc1 |r|
Show InChI InChI=1S/C32H38N6O4/c1-20(33)31(41)34-21(2)32(42)37-26(19-22-11-5-3-6-12-22)27(39)17-18-28(40)38-29(23-13-7-4-8-14-23)30-35-24-15-9-10-16-25(24)36-30/h3-16,20-21,26-27,29,39H,17-19,33H2,1-2H3,(H,34,41)(H,35,36)(H,37,42)(H,38,40)/t20-,21-,26-,27-,29?/m0/s1
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5.37E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HIV -1 protease


J Med Chem 37: 1145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2TM795W
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203198
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33+/m0/s1
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1.33E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203208
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34+/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203210
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES CN1c2cc(CN3CCCCC3)ccc2[C@@H](CS1(=O)=O)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C34H38N4O5S2/c1-37-33-20-25(23-38-18-8-3-9-19-38)14-17-30(33)32(24-44(37,40)41)35-34(39)22-31(27-11-4-2-5-12-27)36-45(42,43)29-16-15-26-10-6-7-13-28(26)21-29/h2,4-7,10-17,20-21,31-32,36H,3,8-9,18-19,22-24H2,1H3,(H,35,39)/t31-,32-/m1/s1
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1.60E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203197
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
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+/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203199
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES CN1c2cc(CN3CCCCC3)ccc2[C@H](CS1(=O)=O)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C34H38N4O5S2/c1-37-33-20-25(23-38-18-8-3-9-19-38)14-17-30(33)32(24-44(37,40)41)35-34(39)22-31(27-11-4-2-5-12-27)36-45(42,43)29-16-15-26-10-6-7-13-28(26)21-29/h2,4-7,10-17,20-21,31-32,36H,3,8-9,18-19,22-24H2,1H3,(H,35,39)/t31-,32+/m1/s1
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3.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203211
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]1CCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33-/m1/s1
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4.92E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
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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>5.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203207
PNG
(3-(RS)-N-(4-(piperidin-1-ylmethyl)benzyl)-3-(napht...)
Show SMILES O=C(CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C32H35N3O3S/c36-32(33-23-25-13-15-26(16-14-25)24-35-19-7-2-8-20-35)22-31(28-10-3-1-4-11-28)34-39(37,38)30-18-17-27-9-5-6-12-29(27)21-30/h1,3-6,9-18,21,31,34H,2,7-8,19-20,22-24H2,(H,33,36)
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5.60E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50203205
PNG
((R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34-/m1/s1
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5.70E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203198
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((S)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33+/m0/s1
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2.41E+5n/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 cells


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272455
PNG
(2-((R)-3-oxo-1-(phenylsulfonyl)-1,2,3,4-tetrahydro...)
Show SMILES O=C(C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C31H34N4O5S/c36-30(32-25-15-18-40-29-19-22(13-14-24(25)29)21-34-16-7-2-8-17-34)20-28-31(37)33-26-11-5-6-12-27(26)35(28)41(38,39)23-9-3-1-4-10-23/h1,3-6,9-14,19,25,28H,2,7-8,15-18,20-21H2,(H,32,36)(H,33,37)/t25-,28-/m1/s1
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n/an/a 0.120n/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


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
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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n/an/a 0.140n/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


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
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 |r,t:27|
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 0.180n/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


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20531
PNG
(N-{6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}qui...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(Nc2ccc3cccnc3c2)ncn1
Show InChI InChI=1S/C20H13F3N4/c21-20(22,23)15-6-3-14(4-7-15)18-11-19(26-12-25-18)27-16-8-5-13-2-1-9-24-17(13)10-16/h1-12H,(H,25,26,27)
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n/an/a 0.300n/an/an/an/an/an/a



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3497-514 (2007)


Article DOI: 10.1021/jm070189q
BindingDB Entry DOI: 10.7270/Q2W957GV
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272454
PNG
(CHEMBL525092 | N-((R)-7-((tert-butylamino)methyl)c...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O5S/c1-30(2,3)31-19-20-13-14-22-23(15-16-39-27(22)17-20)32-28(35)18-26-29(36)33-24-11-7-8-12-25(24)34(26)40(37,38)21-9-5-4-6-10-21/h4-14,17,23,26,31H,15-16,18-19H2,1-3H3,(H,32,35)(H,33,36)/t23-,26-/m1/s1
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n/an/a 0.370n/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


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
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 0.400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


J Med Chem 50: 607-10 (2007)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
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