Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50180019'   

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))	BDBM50180019 (2-[2-(4'-chloro-biphenyl-4-yl)-ethanesulfonyl]-1,2...) Show SMILES OC(=O)C1Cc2ccccc2CN1S(=O)(=O)CCc1ccc(cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H22ClNO4S/c25-22-11-9-19(10-12-22)18-7-5-17(6-8-18)13-14-31(29,30)26-16-21-4-2-1-3-20(21)15-23(26)24(27)28/h1-12,23H,13-16H2,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to MMP13				J Med Chem 49: 51-69 (2006) Article DOI: 10.1021/jm050363f BindingDB Entry DOI: 10.7270/Q20K285S
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