Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50095592'   

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))	BDBM50095592 (4-Methanesulfonylamino-1-[4-(pyridin-4-yloxy)-benz...) Show SMILES CS(=O)(=O)N[C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(Oc2ccncc2)cc1)C(=O)NO Show InChI InChI=1S/C17H20N4O7S2/c1-29(24,25)20-12-10-16(17(22)19-23)21(11-12)30(26,27)15-4-2-13(3-5-15)28-14-6-8-18-9-7-14/h2-9,12,16,20,23H,10-11H2,1H3,(H,19,22)/t12-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	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 human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
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