Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50151735'   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50151735 ((3S,4R)-4-[4-(2,4-Dimethyl-benzyloxy)-benzenesulfo...) Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c(C)c1 Show InChI InChI=1S/C21H25NO7S/c1-14-3-4-16(15(2)11-14)12-29-17-5-7-18(8-6-17)30(26,27)19-9-10-28-13-21(19,24)20(23)22-25/h3-8,11,19,24-25H,9-10,12-13H2,1-2H3,(H,22,23)/t19-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
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