Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50253558'   

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))	BDBM50253558 (1-Methanesulfonyl-4-(3-phenyl-acryloyloxy)-pyrroli...) Show SMILES COC(=O)[C@@H]1C[C@H](CN1S(C)(=O)=O)OC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C16H19NO6S/c1-22-16(19)14-10-13(11-17(14)24(2,20)21)23-15(18)9-8-12-6-4-3-5-7-12/h3-9,13-14H,10-11H2,1-2H3/b9-8+/t13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay				Bioorg Med Chem 16: 7932-8 (2008) Article DOI: 10.1016/j.bmc.2008.07.073 BindingDB Entry DOI: 10.7270/Q2MP533K
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