Found 7688 hits with Last Name = 'allen' and Initial = 'jr' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50344100
(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 | PDB
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Rattus norvegicus (rat)) | BDBM31592
(PF-2545920 | US9138494, MP-10 | substituted pyraz...)Show SMILES Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1 Show InChI InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3 | PDB
MMDB
Reactome pathway
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| MMDB
PDB
Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-(6,7-dimethoxycinnolin-4-yl)-N-isopropyl-3-methylpyridin-2-amine from PDE10A in Sprague-Dawley rat striatum |
J Med Chem 55: 4776-87 (2012)
Article DOI: 10.1021/jm3002372
BindingDB Entry DOI: 10.7270/Q2WM1FFG |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355063
(CHEMBL1834619)Show SMILES Cc1nn(-c2ccc(cn2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2c(Cl)cccc12 |r| Show InChI InChI=1S/C31H32ClN5O2/c1-20-24-8-6-9-26(32)29(24)31(39)37(35-20)28-14-12-23(18-33-28)30(38)34-27-10-5-7-22-17-21(11-13-25(22)27)19-36-15-3-2-4-16-36/h6,8-9,11-14,17-18,27H,2-5,7,10,15-16,19H2,1H3,(H,34,38)/t27-/m1/s1 | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355062
(CHEMBL1834752)Show SMILES Cc1nn(-c2ccc(cn2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2c(F)cccc12 |r| Show InChI InChI=1S/C31H32FN5O2/c1-20-24-8-6-9-26(32)29(24)31(39)37(35-20)28-14-12-23(18-33-28)30(38)34-27-10-5-7-22-17-21(11-13-25(22)27)19-36-15-3-2-4-16-36/h6,8-9,11-14,17-18,27H,2-5,7,10,15-16,19H2,1H3,(H,34,38)/t27-/m1/s1 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355057
(CHEMBL1834751)Show SMILES Cc1nn(-c2ccc(cn2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2c(F)ccc(F)c12 |r| Show InChI InChI=1S/C31H31F2N5O2/c1-19-28-24(32)11-12-25(33)29(28)31(40)38(36-19)27-13-9-22(17-34-27)30(39)35-26-7-5-6-21-16-20(8-10-23(21)26)18-37-14-3-2-4-15-37/h8-13,16-17,26H,2-7,14-15,18H2,1H3,(H,35,39)/t26-/m1/s1 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355064
(CHEMBL1834616)Show SMILES Cc1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2c(Cl)cccc12 |r| Show InChI InChI=1S/C32H33ClN4O2/c1-21-26-8-6-9-28(33)30(26)32(39)37(35-21)25-14-12-23(13-15-25)31(38)34-29-10-5-7-24-19-22(11-16-27(24)29)20-36-17-3-2-4-18-36/h6,8-9,11-16,19,29H,2-5,7,10,17-18,20H2,1H3,(H,34,38)/t29-/m1/s1 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Rattus norvegicus (rat)) | BDBM50365964
(CHEMBL1956235 | CHEMBL2070530)Show InChI InChI=1S/C19H22N4O2/c1-11(2)22-19-12(3)6-13(9-20-19)15-10-21-23-16-8-18(25-5)17(24-4)7-14(15)16/h6-11H,1-5H3,(H,20,22) | PDB
MMDB
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| 1.18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-(6,7-dimethoxycinnolin-4-yl)-N-isopropyl-3-methylpyridin-2-amine from PDE10A in Sprague-Dawley rat striatum |
J Med Chem 55: 4776-87 (2012)
Article DOI: 10.1021/jm3002372
BindingDB Entry DOI: 10.7270/Q2WM1FFG |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355056
(CHEMBL1834614)Show SMILES Cc1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2c(F)cccc12 |r| Show InChI InChI=1S/C32H33FN4O2/c1-21-26-8-6-9-28(33)30(26)32(39)37(35-21)25-14-12-23(13-15-25)31(38)34-29-10-5-7-24-19-22(11-16-27(24)29)20-36-17-3-2-4-18-36/h6,8-9,11-16,19,29H,2-5,7,10,17-18,20H2,1H3,(H,34,38)/t29-/m1/s1 | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355058
(CHEMBL1834750)Show SMILES Cc1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCOc3cc(CN4CCCCC4)ccc23)c(=O)c2c(Cl)cccc12 |r| Show InChI InChI=1S/C31H31ClN4O3/c1-20-24-6-5-7-26(32)29(24)31(38)36(34-20)23-11-9-22(10-12-23)30(37)33-27-14-17-39-28-18-21(8-13-25(27)28)19-35-15-3-2-4-16-35/h5-13,18,27H,2-4,14-17,19H2,1H3,(H,33,37)/t27-/m1/s1 | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355059
(CHEMBL1834620)Show SMILES Cc1nn(-c2ccc(nc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2c(Cl)cccc12 |r| Show InChI InChI=1S/C31H32ClN5O2/c1-20-24-8-6-9-26(32)29(24)31(39)37(35-20)23-12-14-28(33-18-23)30(38)34-27-10-5-7-22-17-21(11-13-25(22)27)19-36-15-3-2-4-16-36/h6,8-9,11-14,17-18,27H,2-5,7,10,15-16,19H2,1H3,(H,34,38)/t27-/m1/s1 | PDB
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355060
(CHEMBL1834615)Show SMILES Cc1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2c(F)ccc(F)c12 |r| Show InChI InChI=1S/C32H32F2N4O2/c1-20-29-26(33)14-15-27(34)30(29)32(40)38(36-20)24-11-9-22(10-12-24)31(39)35-28-7-5-6-23-18-21(8-13-25(23)28)19-37-16-3-2-4-17-37/h8-15,18,28H,2-7,16-17,19H2,1H3,(H,35,39)/t28-/m1/s1 | PDB
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50360416
(CHEMBL1934260)Show SMILES Clc1cccc2occ(-c3ccc(cc3)C(=O)N[C@H]3CCCc4cc(CN5CCCCC5)ccc34)c(=O)c12 |r| Show InChI InChI=1S/C32H31ClN2O3/c33-27-7-5-9-29-30(27)31(36)26(20-38-29)22-11-13-23(14-12-22)32(37)34-28-8-4-6-24-18-21(10-15-25(24)28)19-35-16-2-1-3-17-35/h5,7,9-15,18,20,28H,1-4,6,8,16-17,19H2,(H,34,37)/t28-/m0/s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human B1 bradykinin receptor |
Bioorg Med Chem Lett 22: 619-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50244617
((2R,3S)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmeth...)Show SMILES O[C@H](CS(=O)(=O)c1cccc(c1)C(F)(F)F)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C27H33F3N2O5S/c28-27(29,30)20-7-5-8-21(15-20)38(36,37)17-24(33)25(34)26(35)31-23-9-4-6-19-14-18(10-11-22(19)23)16-32-12-2-1-3-13-32/h5,7-8,10-11,14-15,23-25,33-34H,1-4,6,9,12-13,16-17H2,(H,31,35)/t23-,24-,25-/m1/s1 | PDB
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| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355061
(CHEMBL1834618)Show SMILES Cc1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C32H33ClN4O2/c1-21-29-19-25(33)11-15-28(29)32(39)37(35-21)26-12-9-23(10-13-26)31(38)34-30-7-5-6-24-18-22(8-14-27(24)30)20-36-16-3-2-4-17-36/h8-15,18-19,30H,2-7,16-17,20H2,1H3,(H,34,38)/t30-/m1/s1 | PDB
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| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50360417
(CHEMBL1934265)Show SMILES Cc1cccc2occ(-c3ccc(cc3)C(=O)N[C@H]3CCCc4cc(CN5CCCCC5)ccc34)c(=O)c12 |r| Show InChI InChI=1S/C33H34N2O3/c1-22-7-5-10-30-31(22)32(36)28(21-38-30)24-12-14-25(15-13-24)33(37)34-29-9-6-8-26-19-23(11-16-27(26)29)20-35-17-3-2-4-18-35/h5,7,10-16,19,21,29H,2-4,6,8-9,17-18,20H2,1H3,(H,34,37)/t29-/m0/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human B1 bradykinin receptor |
Bioorg Med Chem Lett 22: 619-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50360418
(CHEMBL1934264)Show SMILES Fc1cccc2occ(-c3ccc(cc3)C(=O)N[C@H]3CCCc4cc(CN5CCCCC5)ccc34)c(=O)c12 |r| Show InChI InChI=1S/C32H31FN2O3/c33-27-7-5-9-29-30(27)31(36)26(20-38-29)22-11-13-23(14-12-22)32(37)34-28-8-4-6-24-18-21(10-15-25(24)28)19-35-16-2-1-3-17-35/h5,7,9-15,18,20,28H,1-4,6,8,16-17,19H2,(H,34,37)/t28-/m0/s1 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human B1 bradykinin receptor |
Bioorg Med Chem Lett 22: 619-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355065
(CHEMBL1835761)Show SMILES O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1ccc(cc1)-c1csc2ccccc2c1=O |r| Show InChI InChI=1S/C32H32N2O2S/c35-31-27-8-2-3-10-30(27)37-21-28(31)23-12-14-24(15-13-23)32(36)33-29-9-6-7-25-19-22(11-16-26(25)29)20-34-17-4-1-5-18-34/h2-3,8,10-16,19,21,29H,1,4-7,9,17-18,20H2,(H,33,36)/t29-/m1/s1 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355066
(CHEMBL1835767)Show SMILES CCc1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2ccccc12 |r| Show InChI InChI=1S/C33H36N4O2/c1-2-30-28-10-4-5-11-29(28)33(39)37(35-30)26-16-14-24(15-17-26)32(38)34-31-12-8-9-25-21-23(13-18-27(25)31)22-36-19-6-3-7-20-36/h4-5,10-11,13-18,21,31H,2-3,6-9,12,19-20,22H2,1H3,(H,34,38)/t31-/m1/s1 | PDB
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| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50360420
(CHEMBL1934254)Show SMILES Clc1cccc2occ(-c3cccc(c3)C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc34)c(=O)c12 |r| Show InChI InChI=1S/C32H31ClN2O3/c33-27-10-6-12-29-30(27)31(36)26(20-38-29)23-7-4-9-24(18-23)32(37)34-28-11-5-8-22-17-21(13-14-25(22)28)19-35-15-2-1-3-16-35/h4,6-7,9-10,12-14,17-18,20,28H,1-3,5,8,11,15-16,19H2,(H,34,37)/t28-/m1/s1 | PDB
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human B1 bradykinin receptor |
Bioorg Med Chem Lett 22: 619-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355067
(CHEMBL1835763)Show SMILES Cc1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2ccccc12 |r| Show InChI InChI=1S/C32H34N4O2/c1-22-27-9-3-4-10-29(27)32(38)36(34-22)26-15-13-24(14-16-26)31(37)33-30-11-7-8-25-20-23(12-17-28(25)30)21-35-18-5-2-6-19-35/h3-4,9-10,12-17,20,30H,2,5-8,11,18-19,21H2,1H3,(H,33,37)/t30-/m1/s1 | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50360414
(CHEMBL1934262)Show SMILES Clc1ccc2c(c1)occ(-c1ccc(cc1)C(=O)N[C@H]1CCCc3cc(CN4CCCCC4)ccc13)c2=O |r| Show InChI InChI=1S/C32H31ClN2O3/c33-25-12-14-27-30(18-25)38-20-28(31(27)36)22-8-10-23(11-9-22)32(37)34-29-6-4-5-24-17-21(7-13-26(24)29)19-35-15-2-1-3-16-35/h7-14,17-18,20,29H,1-6,15-16,19H2,(H,34,37)/t29-/m0/s1 | PDB
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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human B1 bradykinin receptor |
Bioorg Med Chem Lett 22: 619-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50360419
(CHEMBL1934253)Show SMILES Cc1nn(-c2ccc(cc2)C(=O)N[C@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2ccccc12 |r| Show InChI InChI=1S/C32H34N4O2/c1-22-27-9-3-4-10-29(27)32(38)36(34-22)26-15-13-24(14-16-26)31(37)33-30-11-7-8-25-20-23(12-17-28(25)30)21-35-18-5-2-6-19-35/h3-4,9-10,12-17,20,30H,2,5-8,11,18-19,21H2,1H3,(H,33,37)/t30-/m0/s1 | PDB
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human B1 bradykinin receptor |
Bioorg Med Chem Lett 22: 619-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355068
(CHEMBL1835766)Show SMILES O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1ccc(cc1)-n1ncc2ccccc2c1=O |r| Show InChI InChI=1S/C31H32N4O2/c36-30(23-12-14-26(15-13-23)35-31(37)28-9-3-2-7-25(28)20-32-35)33-29-10-6-8-24-19-22(11-16-27(24)29)21-34-17-4-1-5-18-34/h2-3,7,9,11-16,19-20,29H,1,4-6,8,10,17-18,21H2,(H,33,36)/t29-/m1/s1 | PDB
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| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355069
(CHEMBL1835756)Show SMILES O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1cccc(c1)-c1coc2ccccc2c1=O |r| Show InChI InChI=1S/C32H32N2O3/c35-31-27-11-2-3-13-30(27)37-21-28(31)24-8-6-10-25(19-24)32(36)33-29-12-7-9-23-18-22(14-15-26(23)29)20-34-16-4-1-5-17-34/h2-3,6,8,10-11,13-15,18-19,21,29H,1,4-5,7,9,12,16-17,20H2,(H,33,36)/t29-/m1/s1 | PDB
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| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human B1 bradykinin receptor |
Bioorg Med Chem Lett 22: 619-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355069
(CHEMBL1835756)Show SMILES O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1cccc(c1)-c1coc2ccccc2c1=O |r| Show InChI InChI=1S/C32H32N2O3/c35-31-27-11-2-3-13-30(27)37-21-28(31)24-8-6-10-25(19-24)32(36)33-29-12-7-9-23-18-22(14-15-26(23)29)20-34-16-4-1-5-17-34/h2-3,6,8,10-11,13-15,18-19,21,29H,1,4-5,7,9,12,16-17,20H2,(H,33,36)/t29-/m1/s1 | PDB
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| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355070
(CHEMBL1834749)Show SMILES Cc1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2cccnc12 |r| Show InChI InChI=1S/C31H33N5O2/c1-21-29-27(8-6-16-32-29)31(38)36(34-21)25-13-11-23(12-14-25)30(37)33-28-9-5-7-24-19-22(10-15-26(24)28)20-35-17-3-2-4-18-35/h6,8,10-16,19,28H,2-5,7,9,17-18,20H2,1H3,(H,33,37)/t28-/m1/s1 | PDB
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| 69.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355071
(CHEMBL1835769)Show SMILES FC(F)(F)c1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2ccccc12 |r| Show InChI InChI=1S/C32H31F3N4O2/c33-32(34,35)29-26-8-2-3-9-27(26)31(41)39(37-29)24-14-12-22(13-15-24)30(40)36-28-10-6-7-23-19-21(11-16-25(23)28)20-38-17-4-1-5-18-38/h2-3,8-9,11-16,19,28H,1,4-7,10,17-18,20H2,(H,36,40)/t28-/m1/s1 | PDB
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| 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355072
(CHEMBL1835760)Show SMILES O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1cccc(c1)-c1csc2ccccc2c1=O |r| Show InChI InChI=1S/C32H32N2O2S/c35-31-27-11-2-3-13-30(27)37-21-28(31)24-8-6-10-25(19-24)32(36)33-29-12-7-9-23-18-22(14-15-26(23)29)20-34-16-4-1-5-17-34/h2-3,6,8,10-11,13-15,18-19,21,29H,1,4-5,7,9,12,16-17,20H2,(H,33,36)/t29-/m1/s1 | PDB
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| 159 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355073
(CHEMBL1835757)Show SMILES O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1ccc(cc1)-c1coc2ccccc2c1=O |r| Show InChI InChI=1S/C32H32N2O3/c35-31-27-8-2-3-10-30(27)37-21-28(31)23-12-14-24(15-13-23)32(36)33-29-9-6-7-25-19-22(11-16-26(25)29)20-34-17-4-1-5-18-34/h2-3,8,10-16,19,21,29H,1,4-7,9,17-18,20H2,(H,33,36)/t29-/m1/s1 | PDB
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| 183 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50360421
(CHEMBL1934259)Show SMILES O=C(N[C@H]1CCCc2cc(CN3CCCCC3)ccc12)c1ccc(cc1)-c1coc2ccccc2c1=O |r| Show InChI InChI=1S/C32H32N2O3/c35-31-27-8-2-3-10-30(27)37-21-28(31)23-12-14-24(15-13-23)32(36)33-29-9-6-7-25-19-22(11-16-26(25)29)20-34-17-4-1-5-18-34/h2-3,8,10-16,19,21,29H,1,4-7,9,17-18,20H2,(H,33,36)/t29-/m0/s1 | PDB
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| 184 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human B1 bradykinin receptor |
Bioorg Med Chem Lett 22: 619-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355074
(CHEMBL1834617)Show SMILES Cc1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C32H33ClN4O2/c1-21-27-15-11-25(33)19-29(27)32(39)37(35-21)26-12-9-23(10-13-26)31(38)34-30-7-5-6-24-18-22(8-14-28(24)30)20-36-16-3-2-4-17-36/h8-15,18-19,30H,2-7,16-17,20H2,1H3,(H,34,38)/t30-/m1/s1 | PDB
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| 198 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355075
(CHEMBL1835768)Show SMILES CC(C)c1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2ccccc12 |r| Show InChI InChI=1S/C34H38N4O2/c1-23(2)32-29-10-4-5-11-30(29)34(40)38(36-32)27-16-14-25(15-17-27)33(39)35-31-12-8-9-26-21-24(13-18-28(26)31)22-37-19-6-3-7-20-37/h4-5,10-11,13-18,21,23,31H,3,6-9,12,19-20,22H2,1-2H3,(H,35,39)/t31-/m1/s1 | PDB
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| 214 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355076
(CHEMBL1835753)Show SMILES O=C(Cc1ccc(cc1)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1ccccc1 |r| Show InChI InChI=1S/C31H34N2O2/c34-30(25-8-3-1-4-9-25)21-23-12-15-26(16-13-23)31(35)32-29-11-7-10-27-20-24(14-17-28(27)29)22-33-18-5-2-6-19-33/h1,3-4,8-9,12-17,20,29H,2,5-7,10-11,18-19,21-22H2,(H,32,35)/t29-/m1/s1 | PDB
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| 296 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355077
(CHEMBL1835755)Show SMILES O=C(Cc1cccc(c1)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1ccccc1 |r| Show InChI InChI=1S/C31H34N2O2/c34-30(25-10-3-1-4-11-25)21-23-9-7-13-27(19-23)31(35)32-29-14-8-12-26-20-24(15-16-28(26)29)22-33-17-5-2-6-18-33/h1,3-4,7,9-11,13,15-16,19-20,29H,2,5-6,8,12,14,17-18,21-22H2,(H,32,35)/t29-/m1/s1 | PDB
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| 311 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50360423
(CHEMBL1934258)Show SMILES Clc1cccc2c1occ(-c1cccc(c1)C(=O)N[C@@H]1CCCc3cc(CN4CCCCC4)ccc13)c2=O |r| Show InChI InChI=1S/C32H31ClN2O3/c33-28-11-6-10-26-30(36)27(20-38-31(26)28)23-7-4-9-24(18-23)32(37)34-29-12-5-8-22-17-21(13-14-25(22)29)19-35-15-2-1-3-16-35/h4,6-7,9-11,13-14,17-18,20,29H,1-3,5,8,12,15-16,19H2,(H,34,37)/t29-/m1/s1 | PDB
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| 322 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human B1 bradykinin receptor |
Bioorg Med Chem Lett 22: 619-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355078
(CHEMBL1835758)Show SMILES Cn1cc(-c2cccc(c2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2ccccc12 |r| Show InChI InChI=1S/C33H35N3O2/c1-35-22-29(32(37)28-12-3-4-14-31(28)35)25-9-7-11-26(20-25)33(38)34-30-13-8-10-24-19-23(15-16-27(24)30)21-36-17-5-2-6-18-36/h3-4,7,9,11-12,14-16,19-20,22,30H,2,5-6,8,10,13,17-18,21H2,1H3,(H,34,38)/t30-/m1/s1 | PDB
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| 331 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50360422
(CHEMBL1934256)Show SMILES Fc1ccc2occ(-c3cccc(c3)C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc34)c(=O)c2c1 |r| Show InChI InChI=1S/C32H31FN2O3/c33-25-11-13-30-27(18-25)31(36)28(20-38-30)23-6-4-8-24(17-23)32(37)34-29-9-5-7-22-16-21(10-12-26(22)29)19-35-14-2-1-3-15-35/h4,6,8,10-13,16-18,20,29H,1-3,5,7,9,14-15,19H2,(H,34,37)/t29-/m1/s1 | PDB
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| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human B1 bradykinin receptor |
Bioorg Med Chem Lett 22: 619-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355079
(CHEMBL1834613)Show SMILES O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1ccc(cc1)-n1nc(-c2ccccc2)c2ccccc2c1=O |r| Show InChI InChI=1S/C37H36N4O2/c42-36(38-34-15-9-12-29-24-26(16-21-31(29)34)25-40-22-7-2-8-23-40)28-17-19-30(20-18-28)41-37(43)33-14-6-5-13-32(33)35(39-41)27-10-3-1-4-11-27/h1,3-6,10-11,13-14,16-21,24,34H,2,7-9,12,15,22-23,25H2,(H,38,42)/t34-/m1/s1 | PDB
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| 418 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50360415
(CHEMBL1934263)Show SMILES Clc1cccc2c1occ(-c1ccc(cc1)C(=O)N[C@H]1CCCc3cc(CN4CCCCC4)ccc13)c2=O |r| Show InChI InChI=1S/C32H31ClN2O3/c33-28-8-5-7-26-30(36)27(20-38-31(26)28)22-11-13-23(14-12-22)32(37)34-29-9-4-6-24-18-21(10-15-25(24)29)19-35-16-2-1-3-17-35/h5,7-8,10-15,18,20,29H,1-4,6,9,16-17,19H2,(H,34,37)/t29-/m0/s1 | PDB
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| 481 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human B1 bradykinin receptor |
Bioorg Med Chem Lett 22: 619-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355080
(CHEMBL1835754)Show SMILES O=C(Cc1ccccc1)c1cccc(c1)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C31H34N2O2/c34-30(20-23-9-3-1-4-10-23)26-12-7-13-27(21-26)31(35)32-29-14-8-11-25-19-24(15-16-28(25)29)22-33-17-5-2-6-18-33/h1,3-4,7,9-10,12-13,15-16,19,21,29H,2,5-6,8,11,14,17-18,20,22H2,(H,32,35)/t29-/m1/s1 | PDB
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| 565 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355081
(CHEMBL1835765)Show SMILES O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1ccc(cc1)-n1cnc2ccccc2c1=O |r| Show InChI InChI=1S/C31H32N4O2/c36-30(23-12-14-25(15-13-23)35-21-32-28-9-3-2-8-27(28)31(35)37)33-29-10-6-7-24-19-22(11-16-26(24)29)20-34-17-4-1-5-18-34/h2-3,8-9,11-16,19,21,29H,1,4-7,10,17-18,20H2,(H,33,36)/t29-/m1/s1 | PDB
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| 614 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50360424
(CHEMBL1934255)Show SMILES Clc1ccc2occ(-c3cccc(c3)C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc34)c(=O)c2c1 |r| Show InChI InChI=1S/C32H31ClN2O3/c33-25-11-13-30-27(18-25)31(36)28(20-38-30)23-6-4-8-24(17-23)32(37)34-29-9-5-7-22-16-21(10-12-26(22)29)19-35-14-2-1-3-15-35/h4,6,8,10-13,16-18,20,29H,1-3,5,7,9,14-15,19H2,(H,34,37)/t29-/m1/s1 | PDB
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| 767 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human B1 bradykinin receptor |
Bioorg Med Chem Lett 22: 619-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50360413
(CHEMBL1934261)Show SMILES Clc1ccc2occ(-c3ccc(cc3)C(=O)N[C@H]3CCCc4cc(CN5CCCCC5)ccc34)c(=O)c2c1 |r| Show InChI InChI=1S/C32H31ClN2O3/c33-25-12-14-30-27(18-25)31(36)28(20-38-30)22-8-10-23(11-9-22)32(37)34-29-6-4-5-24-17-21(7-13-26(24)29)19-35-15-2-1-3-16-35/h7-14,17-18,20,29H,1-6,15-16,19H2,(H,34,37)/t29-/m0/s1 | PDB
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| 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human B1 bradykinin receptor |
Bioorg Med Chem Lett 22: 619-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355082
(CHEMBL1835752)Show SMILES O=C(CCCCC(=O)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C28H36N2O2/c31-27(23-10-3-1-4-11-23)14-5-6-15-28(32)29-26-13-9-12-24-20-22(16-17-25(24)26)21-30-18-7-2-8-19-30/h1,3-4,10-11,16-17,20,26H,2,5-9,12-15,18-19,21H2,(H,29,32)/t26-/m1/s1 | PDB
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| 1.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355083
(CHEMBL1835762)Show SMILES Cc1nn(-c2cccc(c2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2ccccc12 |r| Show InChI InChI=1S/C32H34N4O2/c1-22-27-12-3-4-13-29(27)32(38)36(34-22)26-11-7-10-25(20-26)31(37)33-30-14-8-9-24-19-23(15-16-28(24)30)21-35-17-5-2-6-18-35/h3-4,7,10-13,15-16,19-20,30H,2,5-6,8-9,14,17-18,21H2,1H3,(H,33,37)/t30-/m1/s1 | PDB
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| 6.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human B1 bradykinin receptor |
Bioorg Med Chem Lett 22: 619-22 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355083
(CHEMBL1835762)Show SMILES Cc1nn(-c2cccc(c2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2ccccc12 |r| Show InChI InChI=1S/C32H34N4O2/c1-22-27-12-3-4-13-29(27)32(38)36(34-22)26-11-7-10-25(20-26)31(37)33-30-14-8-9-24-19-23(15-16-28(24)30)21-35-17-5-2-6-18-35/h3-4,7,10-13,15-16,19-20,30H,2,5-6,8-9,14,17-18,21H2,1H3,(H,33,37)/t30-/m1/s1 | PDB
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| 6.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355084
(CHEMBL1835759)Show SMILES Cn1cc(-c2ccc(cc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2ccccc12 |r| Show InChI InChI=1S/C33H35N3O2/c1-35-22-29(32(37)28-9-3-4-11-31(28)35)24-13-15-25(16-14-24)33(38)34-30-10-7-8-26-20-23(12-17-27(26)30)21-36-18-5-2-6-19-36/h3-4,9,11-17,20,22,30H,2,5-8,10,18-19,21H2,1H3,(H,34,38)/t30-/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50355085
(CHEMBL1835764)Show SMILES O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1cccc(c1)-n1cnc2ccccc2c1=O |r| Show InChI InChI=1S/C31H32N4O2/c36-30(24-9-6-10-25(19-24)35-21-32-28-12-3-2-11-27(28)31(35)37)33-29-13-7-8-23-18-22(14-15-26(23)29)20-34-16-4-1-5-17-34/h2-3,6,9-12,14-15,18-19,21,29H,1,4-5,7-8,13,16-17,20H2,(H,33,36)/t29-/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human B1 receptor |
J Med Chem 54: 7232-46 (2011)
Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1 |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM146707
(US8957073, 4.41 | US9718803, 4.41)Show SMILES C1C(CN1c1ccc2ccccc2n1)c1nccnc1C1=CCOCC1 |t:24| Show InChI InChI=1S/C21H20N4O/c1-2-4-18-15(3-1)5-6-19(24-18)25-13-17(14-25)21-20(22-9-10-23-21)16-7-11-26-12-8-16/h1-7,9-10,17H,8,11-14H2 | PDB
MMDB
Reactome pathway
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| n/a | n/a | 0.00100 | n/a | n/a | n/a | n/a | n/a | 25 |
Amgen Inc.
US Patent
| Assay Description
An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 L of serial diluted PDE10A (BPS Bioscien... |
US Patent US9718803 (2017)
BindingDB Entry DOI: 10.7270/Q2J968DN |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM267012
(2-(3-(3-(2,2-dimethyl-3,6- dihydro-2H-pyran-4-yl)p...)Show SMILES CC1(C)OCCC(=C1)c1nccnc1C1CN(C1)c1ccc2ccccc2n1 |c:6| Show InChI InChI=1S/C23H24N4O/c1-23(2)13-17(9-12-28-23)21-22(25-11-10-24-21)18-14-27(15-18)20-8-7-16-5-3-4-6-19(16)26-20/h3-8,10-11,13,18H,9,12,14-15H2,1-2H3 | PDB
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Reactome pathway
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| US Patent
| n/a | n/a | 0.00100 | n/a | n/a | n/a | n/a | n/a | 25 |
Amgen Inc.
US Patent
| Assay Description
An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 L of serial diluted PDE10A (BPS Bioscien... |
US Patent US9718803 (2017)
BindingDB Entry DOI: 10.7270/Q2J968DN |
More data for this
Ligand-Target Pair | |
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