Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50095549'   

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))	BDBM50095549 (4-(2,5-Dioxo-3-propyl-imidazolidin-1-yl)-1-[4-(2-m...) Show SMILES CCCn1cc(O)n([C@H]2C[C@@H](N(C2)S(=O)(=O)c2ccc(OCCOC)cc2)C(=O)NO)c1=O Show InChI InChI=1S/C20H28N4O8S/c1-3-8-22-13-18(25)24(20(22)27)14-11-17(19(26)21-28)23(12-14)33(29,30)16-6-4-15(5-7-16)32-10-9-31-2/h4-7,13-14,17,25,28H,3,8-12H2,1-2H3,(H,21,26)/t14-,17+/m0/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
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