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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 = 'BDBM50209737'   
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))
BDBM50209737
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CC(=O)N[C@@H]1CCOc2cc(CNC(C)(C)C)ccc12)c1ccccc1
Show InChI InChI=1S/C30H36ClN3O4S/c1-20-24(31)11-8-12-28(20)39(36,37)34-26(22-9-6-5-7-10-22)18-29(35)33-25-15-16-38-27-17-21(13-14-23(25)27)19-32-30(2,3)4/h5-14,17,25-26,32,34H,15-16,18-19H2,1-4H3,(H,33,35)/t25-,26-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
40.6n/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))
BDBM50209737
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CC(=O)N[C@@H]1CCOc2cc(CNC(C)(C)C)ccc12)c1ccccc1
Show InChI InChI=1S/C30H36ClN3O4S/c1-20-24(31)11-8-12-28(20)39(36,37)34-26(22-9-6-5-7-10-22)18-29(35)33-25-15-16-38-27-17-21(13-14-23(25)27)19-32-30(2,3)4/h5-14,17,25-26,32,34H,15-16,18-19H2,1-4H3,(H,33,35)/t25-,26-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 207n/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