Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50268309'   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50268309 (CHEMBL4088060) Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2sc3CCCCCCc3c2c(=O)[nH]1 Show InChI InChI=1S/C22H22N4O4S/c27-17-11-30-15-8-7-12(9-14(15)24-17)10-23-21(29)19-25-20(28)18-13-5-3-1-2-4-6-16(13)31-22(18)26-19/h7-9H,1-6,10-11H2,(H,23,29)(H,24,27)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States. Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP-13 catalytic domain (104 to 274 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as...				ACS Med Chem Lett 8: 654-659 (2017) Article DOI: 10.1021/acsmedchemlett.7b00130 BindingDB Entry DOI: 10.7270/Q2MS3W8M
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