Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50137287'   

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))	BDBM50137287 (2-Benzenesulfonyl-6-benzyloxy-1,2,3,4-tetrahydro-i...) Show SMILES ONC(=O)C1N(CCc2cc(OCc3ccccc3)ccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H22N2O5S/c26-23(24-27)22-21-12-11-19(30-16-17-7-3-1-4-8-17)15-18(21)13-14-25(22)31(28,29)20-9-5-2-6-10-20/h1-12,15,22,27H,13-14,16H2,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-2 (MMP-2)				Bioorg Med Chem Lett 14: 47-50 (2003) BindingDB Entry DOI: 10.7270/Q22J6B79
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