Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50127483'   

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))	BDBM50127483 (2-[7-(3,5-Dichloro-benzyloxy)-1,1-dioxo-1,3,4,5-te...) Show SMILES C[C@@H](N1CCNc2cc(OCc3cc(Cl)cc(Cl)c3)ccc2S1(=O)=O)C(=O)NO Show InChI InChI=1S/C18H19Cl2N3O5S/c1-11(18(24)22-25)23-5-4-21-16-9-15(2-3-17(16)29(23,26)27)28-10-12-6-13(19)8-14(20)7-12/h2-3,6-9,11,21,25H,4-5,10H2,1H3,(H,22,24)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)				J Med Chem 46: 1811-23 (2003) Article DOI: 10.1021/jm020475w BindingDB Entry DOI: 10.7270/Q2TQ60W7
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