Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50195904'   

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))	BDBM50195904 (4-(2-methyl-quinolin-4-ylmethoxy)-N-(1,3,5-trioxo-...) Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2CCCCC22C(=O)NC(=O)NC2=O)c2ccccc2n1 |w:15.15| Show InChI InChI=1S/C27H26N4O5/c1-16-14-18(20-6-2-3-7-21(20)28-16)15-36-19-11-9-17(10-12-19)23(32)29-22-8-4-5-13-27(22)24(33)30-26(35)31-25(27)34/h2-3,6-7,9-12,14,22H,4-5,8,13,15H2,1H3,(H,29,32)(H2,30,31,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	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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