Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50129961'   

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))	BDBM50129961 (4-(4-Methyl-7-p-tolyl-quinolin-2-yloxy)-benzamidin...) Show SMILES Cc1ccc(cc1)-c1ccc2c(C)cc(Oc3ccc(cc3)C(N)=N)nc2c1 Show InChI InChI=1S/C24H21N3O/c1-15-3-5-17(6-4-15)19-9-12-21-16(2)13-23(27-22(21)14-19)28-20-10-7-18(8-11-20)24(25)26/h3-14H,1-2H3,(H3,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description Inhibitory activity of the compound against trypsin				Bioorg Med Chem Lett 13: 2291-5 (2003) BindingDB Entry DOI: 10.7270/Q2QJ7GP2
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