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Compile Data Set for Download or QSAR

Found 521 hits with Last Name = 'd''amico' and Initial = 'd'   
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))
BDBM50344099
PNG
(2-(1-(5-chlorobenzo[b]thiophen-2-ylsulfonyl)-3-oxo...)
Show SMILES Clc1ccc2sc(cc2c1)S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C30H35ClN4O4S2/c31-23-8-10-27-22(16-23)17-29(40-27)41(38,39)35-14-11-32-30(37)26(35)18-28(36)33-25-6-4-5-21-15-20(7-9-24(21)25)19-34-12-2-1-3-13-34/h7-10,15-17,25-26H,1-6,11-14,18-19H2,(H,32,37)(H,33,36)/t25-,26?/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344098
PNG
(2-(1-(3-bromo-5-chlorothiophen-2-ylsulfonyl)-3-oxo...)
Show SMILES Clc1cc(Br)c(s1)S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C26H32BrClN4O4S2/c27-20-14-23(28)37-26(20)38(35,36)32-12-9-29-25(34)22(32)15-24(33)30-21-6-4-5-18-13-17(7-8-19(18)21)16-31-10-2-1-3-11-31/h7-8,13-14,21-22H,1-6,9-12,15-16H2,(H,29,34)(H,30,33)/t21-,22?/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
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
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344111
PNG
(CHEMBL1777969 | N-((R)-6-((4-methylpiperidin-1-yl)...)
Show SMILES CC1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)C[C@H]2N(CCNC2=O)S(=O)(=O)c2ccc(C)cc2)CC1 |r|
Show InChI InChI=1S/C30H40N4O4S/c1-21-6-9-25(10-7-21)39(37,38)34-17-14-31-30(36)28(34)19-29(35)32-27-5-3-4-24-18-23(8-11-26(24)27)20-33-15-12-22(2)13-16-33/h6-11,18,22,27-28H,3-5,12-17,19-20H2,1-2H3,(H,31,36)(H,32,35)/t27-,28-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344097
PNG
(2-(1-(4-methyl-3-(trifluoromethyl)phenylsulfonyl)-...)
Show SMILES Cc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C30H37F3N4O4S/c1-20-8-10-23(17-25(20)30(31,32)33)42(40,41)37-15-12-34-29(39)27(37)18-28(38)35-26-7-5-6-22-16-21(9-11-24(22)26)19-36-13-3-2-4-14-36/h8-11,16-17,26-27H,2-7,12-15,18-19H2,1H3,(H,34,39)(H,35,38)/t26-,27?/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344096
PNG
(2-(3-oxo-1-(3-(trifluoromethyl)phenylsulfonyl)pipe...)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C29H35F3N4O4S/c30-29(31,32)22-7-5-8-23(17-22)41(39,40)36-15-12-33-28(38)26(36)18-27(37)34-25-9-4-6-21-16-20(10-11-24(21)25)19-35-13-2-1-3-14-35/h5,7-8,10-11,16-17,25-26H,1-4,6,9,12-15,18-19H2,(H,33,38)(H,34,37)/t25-,26?/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
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
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344087
PNG
(2-(1-(3,4-dichlorophenylsulfonyl)-3-oxopiperazin-2...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C28H34Cl2N4O4S/c29-23-10-8-21(16-24(23)30)39(37,38)34-14-11-31-28(36)26(34)17-27(35)32-25-6-4-5-20-15-19(7-9-22(20)25)18-33-12-2-1-3-13-33/h7-10,15-16,25-26H,1-6,11-14,17-18H2,(H,31,36)(H,32,35)/t25-,26?/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344110
PNG
(2-((R)-3-oxo-1-tosylpiperazin-2-yl)-N-((R)-7-(pipe...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C28H36N4O5S/c1-20-5-8-22(9-6-20)38(35,36)32-15-12-29-28(34)25(32)18-27(33)30-24-11-16-37-26-17-21(7-10-23(24)26)19-31-13-3-2-4-14-31/h5-10,17,24-25H,2-4,11-16,18-19H2,1H3,(H,29,34)(H,30,33)/t24-,25-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344092
PNG
(2-(1-(2,4-dichlorophenylsulfonyl)-3-oxopiperazin-2...)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C28H34Cl2N4O4S/c29-21-8-10-26(23(30)16-21)39(37,38)34-14-11-31-28(36)25(34)17-27(35)32-24-6-4-5-20-15-19(7-9-22(20)24)18-33-12-2-1-3-13-33/h7-10,15-16,24-25H,1-6,11-14,17-18H2,(H,31,36)(H,32,35)/t24-,25?/m1/s1
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0.210n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344119
PNG
(CHEMBL1777977 | N-((R)-6-((cyclopropylmethylamino)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNCC3CC3)ccc12 |r|
Show InChI InChI=1S/C28H36N4O4S/c1-19-5-10-23(11-6-19)37(35,36)32-14-13-30-28(34)26(32)16-27(33)31-25-4-2-3-22-15-21(9-12-24(22)25)18-29-17-20-7-8-20/h5-6,9-12,15,20,25-26,29H,2-4,7-8,13-14,16-18H2,1H3,(H,30,34)(H,31,33)/t25-,26-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
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))
BDBM50344120
PNG
(CHEMBL1777978 | N-((R)-6-((isobutylamino)methyl)-1...)
Show SMILES CC(C)CNCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@H]1N(CCNC1=O)S(=O)(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C28H38N4O4S/c1-19(2)17-29-18-21-9-12-24-22(15-21)5-4-6-25(24)31-27(33)16-26-28(34)30-13-14-32(26)37(35,36)23-10-7-20(3)8-11-23/h7-12,15,19,25-26,29H,4-6,13-14,16-18H2,1-3H3,(H,30,34)(H,31,33)/t25-,26-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344109
PNG
(2-((R)-1-(4-chlorophenylsulfonyl)-3-oxopiperazin-2...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C28H35ClN4O4S/c29-22-8-10-23(11-9-22)38(36,37)33-16-13-30-28(35)26(33)18-27(34)31-25-6-4-5-21-17-20(7-12-24(21)25)19-32-14-2-1-3-15-32/h7-12,17,25-26H,1-6,13-16,18-19H2,(H,30,35)(H,31,34)/t25-,26-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344093
PNG
(2-(3-oxo-1-tosylpiperazin-2-yl)-N-((R)-6-(piperidi...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)C1CC(=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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0.300n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209744
PNG
((R)-3-(4-fluorophenyl)-N-((R)-7-(piperidin-1-ylmet...)
Show SMILES Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C31H33F4N3O4S/c32-24-10-8-22(9-11-24)28(37-43(40,41)25-6-4-5-23(18-25)31(33,34)35)19-30(39)36-27-13-16-42-29-17-21(7-12-26(27)29)20-38-14-2-1-3-15-38/h4-12,17-18,27-28,37H,1-3,13-16,19-20H2,(H,36,39)/t27-,28-/m1/s1
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0.400n/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 CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209744
PNG
((R)-3-(4-fluorophenyl)-N-((R)-7-(piperidin-1-ylmet...)
Show SMILES Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C31H33F4N3O4S/c32-24-10-8-22(9-11-24)28(37-43(40,41)25-6-4-5-23(18-25)31(33,34)35)19-30(39)36-27-13-16-42-29-17-21(7-12-26(27)29)20-38-14-2-1-3-15-38/h4-12,17-18,27-28,37H,1-3,13-16,19-20H2,(H,36,39)/t27-,28-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344090
PNG
(2-(1-(2-chlorophenylsulfonyl)-3-oxopiperazin-2-yl)...)
Show SMILES Clc1ccccc1S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C28H35ClN4O4S/c29-23-8-2-3-10-26(23)38(36,37)33-16-13-30-28(35)25(33)18-27(34)31-24-9-6-7-21-17-20(11-12-22(21)24)19-32-14-4-1-5-15-32/h2-3,8,10-12,17,24-25H,1,4-7,9,13-16,18-19H2,(H,30,35)(H,31,34)/t24-,25?/m1/s1
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0.410n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344095
PNG
(2-(3-oxo-1-(4-(trifluoromethyl)phenylsulfonyl)pipe...)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C29H35F3N4O4S/c30-29(31,32)22-8-10-23(11-9-22)41(39,40)36-16-13-33-28(38)26(36)18-27(37)34-25-6-4-5-21-17-20(7-12-24(21)25)19-35-14-2-1-3-15-35/h7-12,17,25-26H,1-6,13-16,18-19H2,(H,33,38)(H,34,37)/t25-,26?/m1/s1
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0.460n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344108
PNG
(2-((R)-3-oxo-1-(phenylsulfonyl)piperazin-2-yl)-N-(...)
Show SMILES O=C(C[C@H]1N(CCNC1=O)S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C28H36N4O4S/c33-27(19-26-28(34)29-14-17-32(26)37(35,36)23-9-3-1-4-10-23)30-25-11-7-8-22-18-21(12-13-24(22)25)20-31-15-5-2-6-16-31/h1,3-4,9-10,12-13,18,25-26H,2,5-8,11,14-17,19-20H2,(H,29,34)(H,30,33)/t25-,26-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344117
PNG
(CHEMBL1777975 | N-((R)-6-((cyclopentylamino)methyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC3CCCC3)ccc12 |r|
Show InChI InChI=1S/C29H38N4O4S/c1-20-9-12-24(13-10-20)38(36,37)33-16-15-30-29(35)27(33)18-28(34)32-26-8-4-5-22-17-21(11-14-25(22)26)19-31-23-6-2-3-7-23/h9-14,17,23,26-27,31H,2-8,15-16,18-19H2,1H3,(H,30,35)(H,32,34)/t26-,27-/m1/s1
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0.520n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344094
PNG
(2-(1-(4-methoxyphenylsulfonyl)-3-oxopiperazin-2-yl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C29H38N4O5S/c1-38-23-9-11-24(12-10-23)39(36,37)33-17-14-30-29(35)27(33)19-28(34)31-26-7-5-6-22-18-21(8-13-25(22)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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0.550n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344091
PNG
(2-(1-(4-chlorophenylsulfonyl)-3-oxopiperazin-2-yl)...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C28H35ClN4O4S/c29-22-8-10-23(11-9-22)38(36,37)33-16-13-30-28(35)26(33)18-27(34)31-25-6-4-5-21-17-20(7-12-24(21)25)19-32-14-2-1-3-15-32/h7-12,17,25-26H,1-6,13-16,18-19H2,(H,30,35)(H,31,34)/t25-,26?/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
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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0.700n/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 CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343208
PNG
(CHEMBL1773730 | N-(6-(6-Chloro-5-(2-chlorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H14Cl2N4O3S2/c1-11(27)24-20-25-15-7-6-12(9-17(15)30-20)13-8-16(19(22)23-10-13)26-31(28,29)18-5-3-2-4-14(18)21/h2-10,26H,1H3,(H,24,25,27)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343207
PNG
(CHEMBL1773729 | N-(6-(6-Chloro-5-(4-(trifluorometh...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C21H14ClF3N4O3S2/c1-11(30)27-20-28-16-7-2-12(9-18(16)33-20)13-8-17(19(22)26-10-13)29-34(31,32)15-5-3-14(4-6-15)21(23,24)25/h2-10,29H,1H3,(H,27,28,30)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343206
PNG
(CHEMBL1773728 | N-(6-(6-Chloro-5-(3-(trifluorometh...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H14ClF3N4O3S2/c1-11(30)27-20-28-16-6-5-12(8-18(16)33-20)13-7-17(19(22)26-10-13)29-34(31,32)15-4-2-3-14(9-15)21(23,24)25/h2-10,29H,1H3,(H,27,28,30)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343205
PNG
(CHEMBL1773606 | N-(6-(6-Chloro-5-(2-(trifluorometh...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C21H14ClF3N4O3S2/c1-11(30)27-20-28-15-7-6-12(9-17(15)33-20)13-8-16(19(22)26-10-13)29-34(31,32)18-5-3-2-4-14(18)21(23,24)25/h2-10,29H,1H3,(H,27,28,30)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343211
PNG
(CHEMBL1773733 | N-(6-(5-(3-tert-Butylphenylsulfona...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(c2)C(C)(C)C)c1
Show InChI InChI=1S/C24H23ClN4O3S2/c1-14(30)27-23-28-19-9-8-15(11-21(19)33-23)16-10-20(22(25)26-13-16)29-34(31,32)18-7-5-6-17(12-18)24(2,3)4/h5-13,29H,1-4H3,(H,27,28,30)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343210
PNG
(CHEMBL1773732 | N-(6-(6-Chloro-5-(4-chlorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C20H14Cl2N4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(22)23-10-13)26-31(28,29)15-5-3-14(21)4-6-15/h2-10,26H,1H3,(H,24,25,27)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343203
PNG
(CHEMBL1773604 | N-(6-(6-Chloro-5-(4-methoxyphenyls...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C21H17ClN4O4S2/c1-12(27)24-21-25-17-8-3-13(10-19(17)31-21)14-9-18(20(22)23-11-14)26-32(28,29)16-6-4-15(30-2)5-7-16/h3-11,26H,1-2H3,(H,24,25,27)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343213
PNG
(CHEMBL1773735 | N-(6-(6-Chloro-5-(2-fluorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2F)c1
Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-15-7-6-12(9-17(15)30-20)13-8-16(19(21)23-10-13)26-31(28,29)18-5-3-2-4-14(18)22/h2-10,26H,1H3,(H,24,25,27)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343212
PNG
(CHEMBL1773734 | N-(6-(6-Chloro-5-(4-tert-butylphen...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1
Show InChI InChI=1S/C24H23ClN4O3S2/c1-14(30)27-23-28-19-10-5-15(12-21(19)33-23)16-11-20(22(25)26-13-16)29-34(31,32)18-8-6-17(7-9-18)24(2,3)4/h5-13,29H,1-4H3,(H,27,28,30)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343209
PNG
(CHEMBL1773731 | N-(6-(6-Chloro-5-(3-chlorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C20H14Cl2N4O3S2/c1-11(27)24-20-25-16-6-5-12(8-18(16)30-20)13-7-17(19(22)23-10-13)26-31(28,29)15-4-2-3-14(21)9-15/h2-10,26H,1H3,(H,24,25,27)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344116
PNG
(CHEMBL1777974 | N-((R)-6-((cyclopropylamino)methyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC3CC3)ccc12 |r|
Show InChI InChI=1S/C27H34N4O4S/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/h5-7,10-12,15,21,24-25,29H,2-4,8-9,13-14,16-17H2,1H3,(H,28,33)(H,30,32)/t24-,25-/m1/s1
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1.09n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343214
PNG
(CHEMBL1773736 | N-(6-(6-Chloro-5-(3-fluorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(F)c2)c1
Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-6-5-12(8-18(16)30-20)13-7-17(19(21)23-10-13)26-31(28,29)15-4-2-3-14(22)9-15/h2-10,26H,1H3,(H,24,25,27)
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1.10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343202
PNG
(CHEMBL1773603 | N-(6-(5-(4-Methoxyphenylsulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1C)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C22H20N4O4S2/c1-13-20(26-32(28,29)18-7-5-17(30-3)6-8-18)10-16(12-23-13)15-4-9-19-21(11-15)31-22(25-19)24-14(2)27/h4-12,26H,1-3H3,(H,24,25,27)
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1.20n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343200
PNG
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)
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1.20n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344089
PNG
(2-(3-oxo-1-(phenylsulfonyl)piperazin-2-yl)-N-((R)-...)
Show SMILES O=C(CC1N(CCNC1=O)S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C28H36N4O4S/c33-27(19-26-28(34)29-14-17-32(26)37(35,36)23-9-3-1-4-10-23)30-25-11-7-8-22-18-21(12-13-24(22)25)20-31-15-5-2-6-16-31/h1,3-4,9-10,12-13,18,25-26H,2,5-8,11,14-17,19-20H2,(H,29,34)(H,30,33)/t25-,26?/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50343200
PNG
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)
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1.20n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343204
PNG
(CHEMBL1773605 | N-(6-(6-Chloro-5-(phenylsulfonamid...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C20H15ClN4O3S2/c1-12(26)23-20-24-16-8-7-13(10-18(16)29-20)14-9-17(19(21)22-11-14)25-30(27,28)15-5-3-2-4-6-15/h2-11,25H,1H3,(H,23,24,26)
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1.40n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343201
PNG
(CHEMBL1773602 | N-(6-(6-Cyano-5-(4-methoxyphenylsu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1C#N)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C22H17N5O4S2/c1-13(28)25-22-26-18-8-3-14(10-21(18)32-22)15-9-19(20(11-23)24-12-15)27-33(29,30)17-6-4-16(31-2)5-7-17/h3-10,12,27H,1-2H3,(H,25,26,28)
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1.40n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
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))
BDBM50344121
PNG
(CHEMBL1777979 | N-((R)-6-((neopentylamino)methyl)-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNCC(C)(C)C)ccc12 |r|
Show InChI InChI=1S/C29H40N4O4S/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/h8-13,16,25-26,30H,5-7,14-15,17-19H2,1-4H3,(H,31,35)(H,32,34)/t25-,26-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343197
PNG
(CHEMBL1773599 | N-(6-(5-(4-Methoxyphenylsulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cncc(c1)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C21H18N4O4S2/c1-13(26)23-21-24-19-8-3-14(10-20(19)30-21)15-9-16(12-22-11-15)25-31(27,28)18-6-4-17(29-2)5-7-18/h3-12,25H,1-2H3,(H,23,24,26)
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1.60n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344112
PNG
(CHEMBL1777970 | N-((R)-6-((3,3-dimethylpiperidin-1...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCC(C)(C)C3)ccc12 |r|
Show InChI InChI=1S/C31H42N4O4S/c1-22-8-11-25(12-9-22)40(38,39)35-17-15-32-30(37)28(35)19-29(36)33-27-7-4-6-24-18-23(10-13-26(24)27)20-34-16-5-14-31(2,3)21-34/h8-13,18,27-28H,4-7,14-17,19-21H2,1-3H3,(H,32,37)(H,33,36)/t27-,28-/m1/s1
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1.98n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50343200
PNG
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)
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2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kbeta expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344114
PNG
(CHEMBL1777972 | N-((R)-6-((4-methylpiperazin-1-yl)...)
Show SMILES CN1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)C[C@H]2N(CCNC2=O)S(=O)(=O)c2ccc(C)cc2)CC1 |r|
Show InChI InChI=1S/C29H39N5O4S/c1-21-6-9-24(10-7-21)39(37,38)34-13-12-30-29(36)27(34)19-28(35)31-26-5-3-4-23-18-22(8-11-25(23)26)20-33-16-14-32(2)15-17-33/h6-11,18,26-27H,3-5,12-17,19-20H2,1-2H3,(H,30,36)(H,31,35)/t26-,27-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
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