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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-chymotrypsin' and Ligand = 'BDBM50059003'   
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
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50059003
PNG
(3-(3,4-Dichloro-benzenesulfonyl)-1-(3,4-dichloro-p...)
Show SMILES Clc1ccc(cc1Cl)N1CC(=O)N(C1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H8Cl4N2O4S/c16-10-3-1-8(5-12(10)18)20-7-14(22)21(15(20)23)26(24,25)9-2-4-11(17)13(19)6-9/h1-6H,7H2
PDB
MMDB

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Similars

Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Suntory Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro


J Med Chem 40: 2156-63 (1997)

More data for this
Ligand-Target Pair