Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50195921'   

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))	BDBM50195921 (CHEMBL429112 | N-(2-methanesulfonyl-6,8,10-trioxo-...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2CN(CC22C(=O)NC(=O)NC2=O)S(C)(=O)=O)c2ccccc2n1 |w:15.15| Show InChI InChI=1S/C26H25N5O7S/c1-15-11-17(19-5-3-4-6-20(19)27-15)13-38-18-9-7-16(8-10-18)22(32)28-21-12-31(39(2,36)37)14-26(21)23(33)29-25(35)30-24(26)34/h3-11,21H,12-14H2,1-2H3,(H,28,32)(H2,29,30,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.33E+3	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 Inhibition of MMP2				Bioorg Med Chem Lett 17: 266-71 (2006) Article DOI: 10.1016/j.bmcl.2006.09.048 BindingDB Entry DOI: 10.7270/Q2NK3DPF
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