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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen A' and Ligand = 'BDBM50085362'   
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
Chymotrypsinogen A


(Bos taurus (bovine))		BDBM50085362
PNG
(CHEMBL64494 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C19H18ClNO2/c20-14-18(22)17(13-16-9-5-2-6-10-16)21-19(23)12-11-15-7-3-1-4-8-15/h1-12,17H,13-14H2,(H,21,23)/b12-11+/t17-/m0/s1
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PC sid
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PubMed
n/an/a 8.70E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin(alpha-CT)

Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair