Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50095594'   

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))	BDBM50095594 (1-(4-Methoxy-benzenesulfonyl)-4-phenethylamino-pyr...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NCCc1ccccc1 Show InChI InChI=1S/C20H25N3O5S/c1-28-17-7-9-18(10-8-17)29(26,27)23-14-16(13-19(23)20(24)22-25)21-12-11-15-5-3-2-4-6-15/h2-10,16,19,21,25H,11-14H2,1H3,(H,22,24)/t16-,19+/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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