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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50243171'   
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
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50243171
PNG
(CHEMBL519247 | N-(2-Benzoylphenyl)-4-{[(dimethylam...)
Show SMILES CN(C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C22H21N3O4S/c1-25(2)22(27)23-17-12-14-18(15-13-17)30(28,29)24-20-11-7-6-10-19(20)21(26)16-8-4-3-5-9-16/h3-15,24H,1-2H3,(H,23,27)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
215n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor


J Med Chem 51: 3946-52 (2008)


Article DOI: 10.1021/jm800199h
BindingDB Entry DOI: 10.7270/Q2JH3N33
More data for this
Ligand-Target Pair