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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bradykinin B1 receptor' and Ligand = 'BDBM50209750'   
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))
BDBM50209750
PNG
((R)-N-((R)-7-((cyclohexylamino)methyl)chroman-4-yl...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CNC3CCCCC3)ccc12
Show InChI InChI=1S/C35H39N3O4S/c39-35(37-32-19-20-42-34-21-25(15-18-31(32)34)24-36-29-13-5-2-6-14-29)23-33(27-10-3-1-4-11-27)38-43(40,41)30-17-16-26-9-7-8-12-28(26)22-30/h1,3-4,7-12,15-18,21-22,29,32-33,36,38H,2,5-6,13-14,19-20,23-24H2,(H,37,39)/t32-,33-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
21.8n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in 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))
BDBM50209750
PNG
((R)-N-((R)-7-((cyclohexylamino)methyl)chroman-4-yl...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CNC3CCCCC3)ccc12
Show InChI InChI=1S/C35H39N3O4S/c39-35(37-32-19-20-42-34-21-25(15-18-31(32)34)24-36-29-13-5-2-6-14-29)23-33(27-10-3-1-4-11-27)38-43(40,41)30-17-16-26-9-7-8-12-28(26)22-30/h1,3-4,7-12,15-18,21-22,29,32-33,36,38H,2,5-6,13-14,19-20,23-24H2,(H,37,39)/t32-,33-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 69.9n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHOD cellsassessed as effect on DAK-induced calcium flux


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