Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50101722'   

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))	BDBM50101722 ((3-Hydroxy-cyclohexyl)-(4'-methoxy-biphenyl-4-sulf...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(O)C1)C(O)=O Show InChI InChI=1S/C21H25NO6S/c1-28-18-9-5-14(6-10-18)15-7-11-19(12-8-15)29(26,27)22-20(21(24)25)16-3-2-4-17(23)13-16/h5-12,16-17,20,22-23H,2-4,13H2,1H3,(H,24,25)	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	54	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
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