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Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'staden' and Initial = 'cv'   
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
B1 bradykinin 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
B1 bradykinin 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
B1 bradykinin 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
B1 bradykinin 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
B1 bradykinin 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
B1 bradykinin 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
B1 bradykinin 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
B1 bradykinin 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
B1 bradykinin 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
B1 bradykinin 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
B1 bradykinin 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
B1 bradykinin 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
B2 bradykinin 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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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
B2 bradykinin 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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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
B2 bradykinin 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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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
B2 bradykinin 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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>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
B2 bradykinin 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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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
B2 bradykinin 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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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
B2 bradykinin 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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>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
B2 bradykinin 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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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
B2 bradykinin 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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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
B1 bradykinin 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
B1 bradykinin 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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50029600
PNG
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 2 in chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289327
PNG
(5-(4-Methanesulfonyl-phenyl)-6-m-tolyl-2-trifluoro...)
Show SMILES Cc1cccc(c1)-c1c(sc2nc(nn12)C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H14F3N3O2S2/c1-11-4-3-5-13(10-11)15-16(12-6-8-14(9-7-12)29(2,26)27)28-18-23-17(19(20,21)22)24-25(15)18/h3-10H,1-2H3
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 2 in chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289328
PNG
(5-(4-Methanesulfonyl-phenyl)-6-phenyl-2-trifluorom...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2nc(nn2c1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C18H12F3N3O2S2/c1-28(25,26)13-9-7-12(8-10-13)15-14(11-5-3-2-4-6-11)24-17(27-15)22-16(23-24)18(19,20)21/h2-10H,1H3
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 2 in chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
B1 bradykinin 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 3.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity at human bradykinin B1 receptor expressed in CHO cells 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
B1 bradykinin receptor


(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)


Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0
More data for this
Ligand-Target Pair
B1 bradykinin 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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n/an/a 5.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity at human bradykinin B1 receptor expressed in CHO cells 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
B1 bradykinin 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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n/an/a 5.60n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity at human bradykinin B1 receptor expressed in CHO cells 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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289321
PNG
(5-(4-Methanesulfonyl-phenyl)-6-phenyl-2-vinyl-thia...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2nc(C=C)nn2c1-c1ccccc1
Show InChI InChI=1S/C19H15N3O2S2/c1-3-16-20-19-22(21-16)17(13-7-5-4-6-8-13)18(25-19)14-9-11-15(12-10-14)26(2,23)24/h3-12H,1H2,2H3
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo ability to inhibit Prostaglandin G/H synthase 2 in human whole blood assay


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50203196
PNG
((3R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-(6-(...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NC1CCCc2cc(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-/m1/s1
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n/an/a 6.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity at human bradykinin B1 receptor expressed in CHO cells 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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289323
PNG
(5-(4-Methanesulfonyl-phenyl)-6-phenyl-thiazolo[3,2...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2ncnn2c1-c1ccccc1
Show InChI InChI=1S/C17H13N3O2S2/c1-24(21,22)14-9-7-13(8-10-14)16-15(12-5-3-2-4-6-12)20-17(23-16)18-11-19-20/h2-11H,1H3
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo ability to inhibit Prostaglandin G/H synthase 2 in human whole blood assay


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
B1 bradykinin 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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n/an/a 10.7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity at human bradykinin B1 receptor expressed in CHO cells 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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289324
PNG
(2-Isopropyl-5-(4-methanesulfonyl-phenyl)-6-phenyl-...)
Show SMILES CC(C)c1nc2sc(c(-c3ccccc3)n2n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H19N3O2S2/c1-13(2)19-21-20-23(22-19)17(14-7-5-4-6-8-14)18(26-20)15-9-11-16(12-10-15)27(3,24)25/h4-13H,1-3H3
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 2 in chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289331
PNG
(6-(3-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2nc(nn2c1-c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C18H11F4N3O2S2/c1-29(26,27)13-7-5-10(6-8-13)15-14(11-3-2-4-12(19)9-11)25-17(28-15)23-16(24-25)18(20,21)22/h2-9H,1H3
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 2 in chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
B1 bradykinin 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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n/an/a 14n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity at human bradykinin B1 receptor expressed in CHO cells 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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289332
PNG
(2-Ethyl-5-(4-methanesulfonyl-phenyl)-6-phenyl-thia...)
Show SMILES CCc1nc2sc(c(-c3ccccc3)n2n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H17N3O2S2/c1-3-16-20-19-22(21-16)17(13-7-5-4-6-8-13)18(25-19)14-9-11-15(12-10-14)26(2,23)24/h4-12H,3H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 2 in chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Oryctolagus cuniculus)
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 17n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity at rabbit bradykinin B1 receptor expressed in CHO-D cells 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
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 1 in chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289319
PNG
(5-(4-Methanesulfonyl-phenyl)-2-methyl-6-phenyl-thi...)
Show SMILES Cc1nc2sc(c(-c3ccccc3)n2n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15N3O2S2/c1-12-19-18-21(20-12)16(13-6-4-3-5-7-13)17(24-18)14-8-10-15(11-9-14)25(2,22)23/h3-11H,1-2H3
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 2 in chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289317
PNG
(6-(3-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-t...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2ncnn2c1-c1cccc(F)c1
Show InChI InChI=1S/C17H12FN3O2S2/c1-25(22,23)14-7-5-11(6-8-14)16-15(12-3-2-4-13(18)9-12)21-17(24-16)19-10-20-21/h2-10H,1H3
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 2 in chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 2 in chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289325
PNG
(6-(4-Methanesulfonyl-phenyl)-5-phenyl-thiazolo[3,2...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(sc2ncnn12)-c1ccccc1
Show InChI InChI=1S/C17H13N3O2S2/c1-24(21,22)14-9-7-12(8-10-14)15-16(13-5-3-2-4-6-13)23-17-18-11-19-20(15)17/h2-11H,1H3
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 2 in chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289316
PNG
(6-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-t...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2ncnn2c1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12FN3O2S2/c1-25(22,23)14-8-4-12(5-9-14)16-15(11-2-6-13(18)7-3-11)21-17(24-16)19-10-20-21/h2-10H,1H3
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n/an/a 36n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 2 in chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289326
PNG
(6-(3,4-Difluoro-phenyl)-5-(4-methanesulfonyl-pheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2ncnn2c1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H11F2N3O2S2/c1-26(23,24)12-5-2-10(3-6-12)16-15(22-17(25-16)20-9-21-22)11-4-7-13(18)14(19)8-11/h2-9H,1H3
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n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo ability to inhibit Prostaglandin G/H synthase 2 in human whole blood assay


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50029600
PNG
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
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n/an/a 59n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 1 in chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50029600
PNG
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo ability to inhibit Prostaglandin G/H synthase 2 in human whole blood assay


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289330
PNG
(6-(3,5-Difluoro-phenyl)-5-(4-methanesulfonyl-pheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2ncnn2c1-c1cc(F)cc(F)c1
Show InChI InChI=1S/C17H11F2N3O2S2/c1-26(23,24)14-4-2-10(3-5-14)16-15(22-17(25-16)20-9-21-22)11-6-12(18)8-13(19)7-11/h2-9H,1H3
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 2 in chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 7: 57-62 (1997)


Article DOI: 10.1016/S0960-894X(96)00582-3
BindingDB Entry DOI: 10.7270/Q29W0FG1
More data for this
Ligand-Target Pair
B1 bradykinin 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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n/an/a 86n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity at human bradykinin B1 receptor expressed in CHO cells 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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