Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50095583'   

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))	BDBM50095583 (4-Morpholin-4-yl-1-(4-propoxy-benzenesulfonyl)-pyr...) Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCOCC1 Show InChI InChI=1S/C18H27N3O6S/c1-2-9-27-15-3-5-16(6-4-15)28(24,25)21-13-14(12-17(21)18(22)19-23)20-7-10-26-11-8-20/h3-6,14,17,23H,2,7-13H2,1H3,(H,19,22)/t14-,17+/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	1	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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