Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50123483'   

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 (Homo sapiens (Human))	BDBM50123483 (2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-2-ox...) Show SMILES Fc1cccnc1CNC(=O)Cn1c(cnc(NCC(F)(F)c2ccccn2)c1=O)C(F)(F)F Show InChI InChI=1S/C20H16F6N6O2/c21-12-4-3-7-27-13(12)8-29-16(33)10-32-15(20(24,25)26)9-30-17(18(32)34)31-11-19(22,23)14-5-1-2-6-28-14/h1-7,9H,8,10-11H2,(H,29,33)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
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