Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50103982'   

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))	BDBM50103982 (4-Benzylsulfanyl-N-hydroxy-2-[(4-methoxy-benzenesu...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCOCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C24H31N3O7S2/c1-33-20-7-9-21(10-8-20)36(31,32)27(17-23(28)26-12-14-34-15-13-26)22(24(29)25-30)11-16-35-18-19-5-3-2-4-6-19/h2-10,22,30H,11-18H2,1H3,(H,25,29)	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	23	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description In vitro inhibition of human matrix metalloprotease-13				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
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