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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bradykinin B1 receptor' and Ligand = 'BDBM50184174'   
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))
BDBM50184174
PNG
(4'-{[5-(4-cyclopentylmethyl-piperazine-1-carbonyl)...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC3CCCC3)CC2)c(F)c1
Show InChI InChI=1S/C31H34F2N4O3/c1-40-31(39)29-25(7-4-8-26(29)32)22-9-10-23(27(33)17-22)18-34-28-12-11-24(19-35-28)30(38)37-15-13-36(14-16-37)20-21-5-2-3-6-21/h4,7-12,17,19,21H,2-3,5-6,13-16,18,20H2,1H3,(H,34,35)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human BK1 receptor


Bioorg Med Chem Lett 16: 2791-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.112
BindingDB Entry DOI: 10.7270/Q28915GX
More data for this
Ligand-Target Pair