Found 1341 hits with Last Name = 'fremeau' and Initial = 'r' 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
D(1B) dopamine receptor
(RAT) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 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
Binding affinity to CB2 receptor |
J Med Chem 51: 5019-34 (2008)
Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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)) | 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM81490
(CAS_60197-32-2 | CIS PIFLUTIXOL | NSC_68714 | Pifl...)Show SMILES OCCC1CCN(CCC=C2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 |w:9.8| Show InChI InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50272598
(6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...)Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21 |r| Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | 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 CB2 receptor |
J Med Chem 51: 5019-34 (2008)
Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50008735
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 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
Binding affinity to CB1 receptor |
J Med Chem 51: 5019-34 (2008)
Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM81490
(CAS_60197-32-2 | CIS PIFLUTIXOL | NSC_68714 | Pifl...)Show SMILES OCCC1CCN(CCC=C2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 |w:9.8| Show InChI InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50026957
((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...)Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50272567
(1-(4-fluorobenzyl)-N-cyclohexyl-7-methyl-4-oxo-1,4...)Show SMILES Cc1ccc2c(n1)n(Cc1ccc(F)cc1)cc(C(=O)NC1CCCCC1)c2=O Show InChI InChI=1S/C23H24FN3O2/c1-15-7-12-19-21(28)20(23(29)26-18-5-3-2-4-6-18)14-27(22(19)25-15)13-16-8-10-17(24)11-9-16/h7-12,14,18H,2-6,13H2,1H3,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.5 | 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 CB2 receptor |
J Med Chem 51: 5019-34 (2008)
Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM50008735
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM50026957
((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...)Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+ | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM60917
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50272567
(1-(4-fluorobenzyl)-N-cyclohexyl-7-methyl-4-oxo-1,4...)Show SMILES Cc1ccc2c(n1)n(Cc1ccc(F)cc1)cc(C(=O)NC1CCCCC1)c2=O Show InChI InChI=1S/C23H24FN3O2/c1-15-7-12-19-21(28)20(23(29)26-18-5-3-2-4-6-18)14-27(22(19)25-15)13-16-8-10-17(24)11-9-16/h7-12,14,18H,2-6,13H2,1H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 CB1 receptor |
J Med Chem 51: 5019-34 (2008)
Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50272598
(6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...)Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21 |r| Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16.4 | 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 CB1 receptor |
J Med Chem 51: 5019-34 (2008)
Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM60917
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM81485
(CAS_68751 | CIS TEFLUTIXOL | NSC_68751 | Teflutixo...)Show SMILES OCCN1CCN(CCCC2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H26F4N2OS/c24-17-4-5-19-18(2-1-7-28-8-10-29(11-9-28)12-13-30)20-14-16(23(25,26)27)3-6-21(20)31-22(19)15-17/h3-6,14-15,18,30H,1-2,7-13H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
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)) | 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 | |
D(1B) dopamine receptor
(RAT) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
D(1B) dopamine receptor
(RAT) | BDBM81485
(CAS_68751 | CIS TEFLUTIXOL | NSC_68751 | Teflutixo...)Show SMILES OCCN1CCN(CCCC2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H26F4N2OS/c24-17-4-5-19-18(2-1-7-28-8-10-29(11-9-28)12-13-30)20-14-16(23(25,26)27)3-6-21(20)31-22(19)15-17/h3-6,14-15,18,30H,1-2,7-13H2 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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)) | 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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)) | 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50040241
(3-Fluoro-6-(4-methyl-piperazin-1-yl)-11H-dibenzo[b...)Show InChI InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50032720
(CHEMBL3354696)Show SMILES NC1=N[C@]2(CO1)c1cc(OCC3CCCCC3)ccc1Oc1ccc(cc21)-c1cncnc1 |r,t:1| Show InChI InChI=1S/C26H26N4O3/c27-25-30-26(15-32-25)21-10-18(19-12-28-16-29-13-19)6-8-23(21)33-24-9-7-20(11-22(24)26)31-14-17-4-2-1-3-5-17/h6-13,16-17H,1-5,14-15H2,(H2,27,30)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay |
J Med Chem 57: 9796-810 (2014)
Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
D(1B) dopamine receptor
(RAT) | BDBM50004822
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491
BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this
Ligand-Target Pair | |
Search and Browse
