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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen A' and Ligand = 'BDBM50085361'   
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))		BDBM50085361
PNG
(CHEMBL59998 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES Oc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1
Show InChI InChI=1S/C19H20ClNO3/c20-13-18(23)17(12-14-5-2-1-3-6-14)21-19(24)10-9-15-7-4-8-16(22)11-15/h1-8,11,17,22H,9-10,12-13H2,(H,21,24)/t17-/m0/s1
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PubMed
n/an/a 5.20E+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