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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50076019'   
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
Serine protease 1


(Homo sapiens (Human))		BDBM50076019
PNG
((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Show SMILES Cn1c(nc2ccccc12)C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)C(=O)CCc1ccccc1
Show InChI InChI=1S/C31H38N6O4/c1-35-25-13-6-5-11-23(25)33-30(35)29(40)24(12-7-8-18-32)34-31(41)26-16-15-22-19-36(20-28(39)37(22)26)27(38)17-14-21-9-3-2-4-10-21/h2-6,9-11,13,22,24,26H,7-8,12,14-20,32H2,1H3,(H,34,41)/t22-,24-,26-/m0/s1
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PubMed
n/an/a 8.49E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human trypsin

Bioorg Med Chem Lett 9: 835-40 (1999)


BindingDB Entry DOI: 10.7270/Q25Q4V8V
More data for this
Ligand-Target Pair