Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50113041'   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50113041 ((2R,5R)-5-Hydroxy-1-[4-(2-trifluoromethyl-benzylox...) Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H21F3N2O6S/c21-20(22,23)17-4-2-1-3-13(17)12-31-15-6-8-16(9-7-15)32(29,30)25-11-14(26)5-10-18(25)19(27)24-28/h1-4,6-9,14,18,26,28H,5,10-12H2,(H,24,27)/t14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Matrix metalloproteinase-1 was determined				Bioorg Med Chem Lett 12: 1387-90 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6X30
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