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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen B' and Ligand = 'BDBM50070435'   
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 B


(Homo sapiens (Human))		BDBM50070435
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES CC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C19H21N3O2S/c1-2-16(14-8-4-3-5-9-14)21-19(24)22-17(23)12-18(22)25-13-15-10-6-7-11-20-15/h3-11,16,18H,2,12-13H2,1H3,(H,21,24)/t16-,18?/m1/s1
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PubMed
n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin

Bioorg Med Chem Lett 8: 1437-42 (1999)


BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair