Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50118976'   

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))	BDBM50118976 (1-(2-Methoxy-acetyl)-4-(4-methoxy-benzenesulfonyl)...) Show SMILES COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C20H23N3O7S/c1-29-13-19(24)22-12-18(20(25)21-26)23(11-14-5-3-4-6-17(14)22)31(27,28)16-9-7-15(30-2)8-10-16/h3-10,18,26H,11-13H2,1-2H3,(H,21,25)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13				Bioorg Med Chem Lett 12: 2867-70 (2002) BindingDB Entry DOI: 10.7270/Q2JS9PSH
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