Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50098921'   

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))	BDBM50098921 ((R)-1-Benzyl-4-(4-methoxy-benzenesulfonyl)-7-oxo-[...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)C(=O)C[C@@H]1C(=O)NO Show InChI InChI=1S/C20H23N3O6S/c1-29-16-7-9-17(10-8-16)30(27,28)23-12-11-22(14-15-5-3-2-4-6-15)19(24)13-18(23)20(25)21-26/h2-10,18,26H,11-14H2,1H3,(H,21,25)/t18-/m1/s1	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	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human Matrix metalloprotease-2				Bioorg Med Chem Lett 11: 1009-13 (2001) BindingDB Entry DOI: 10.7270/Q2X34Z04
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