Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50350615'   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50350615 (CHEMBL1812933) Show SMILES O=C(C1CCC1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H28N4O5/c31-22(18-6-4-7-18)29-14-5-15-30(17-16-29)26(23(32)27-25(34)28-24(26)33)19-10-12-21(13-11-19)35-20-8-2-1-3-9-20/h1-3,8-13,18H,4-7,14-17H2,(H2,27,28,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...				Bioorg Med Chem 19: 4985-99 (2011) Article DOI: 10.1016/j.bmc.2011.06.055 BindingDB Entry DOI: 10.7270/Q2RJ4JV9
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