Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50123772'   

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))	BDBM50123772 (4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-im...) Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2nc3ccncc3[nH]2)C(=O)C1 Show InChI InChI=1S/C19H16ClN5O3S2/c20-13-2-1-12-7-19(29-16(12)8-13)30(27,28)25-6-5-24(18(26)11-25)10-17-22-14-3-4-21-9-15(14)23-17/h1-4,7-9H,5-6,10-11H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards trypsin				J Med Chem 46: 681-4 (2003) Article DOI: 10.1021/jm020384z BindingDB Entry DOI: 10.7270/Q2KW5FDH
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