Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50127473'   

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))	BDBM50127473 (2-(1,1-Dioxo-7-phenoxy-1,3,4,5-tetrahydro-1lambda*...) Show SMILES C[C@@H](N1CCNc2cc(Oc3ccccc3)ccc2S1(=O)=O)C(=O)NO Show InChI InChI=1S/C17H19N3O5S/c1-12(17(21)19-22)20-10-9-18-15-11-14(7-8-16(15)26(20,23)24)25-13-5-3-2-4-6-13/h2-8,11-12,18,22H,9-10H2,1H3,(H,19,21)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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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