Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50072856'   

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
Serine protease 1 (Bos taurus (bovine))	BDBM50072856 (3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(toluene-4-...) Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C23H30N4O3S/c1-16-6-8-20(9-7-16)31(29,30)26-21(23(28)27-12-10-17(2)11-13-27)15-18-4-3-5-19(14-18)22(24)25/h3-9,14,17,21,26H,10-13,15H2,1-2H3,(H3,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
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