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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymase' and Ligand = 'BDBM50349175'   
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
Chymase


(Homo sapiens (Human))
BDBM50349175
PNG
(CHEMBL1807637)
Show SMILES Cc1c(C)c2cccc(Cn3c4ccccc4n(CCC(O)=O)c3=O)c2n1C
Show InChI InChI=1S/C22H23N3O3/c1-14-15(2)23(3)21-16(7-6-8-17(14)21)13-25-19-10-5-4-9-18(19)24(22(25)28)12-11-20(26)27/h4-10H,11-13H2,1-3H3,(H,26,27)
PDB
MMDB

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Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair