Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50149078'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Trypsin (Homo sapiens (Human))	BDBM50149078 (2-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...) Show SMILES Clc1ccc(s1)-c1nc2ccc(CC(=O)Nc3ccc(cc3)N3CCCC3=O)cc2[nH]1 Show InChI InChI=1S/C23H19ClN4O2S/c24-20-10-9-19(31-20)23-26-17-8-3-14(12-18(17)27-23)13-21(29)25-15-4-6-16(7-5-15)28-11-1-2-22(28)30/h3-10,12H,1-2,11,13H2,(H,25,29)(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity against human trypsin				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
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