Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50295508'   

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))	BDBM50295508 ((S)-3-Methyl-2-(7-(3-phenylureido)dibenzo[b,d]thio...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Nc3ccccc3)ccc21)C(O)=O |r| Show InChI InChI=1S/C24H23N3O5S2/c1-14(2)22(23(28)29)27-34(31,32)17-9-11-19-18-10-8-16(12-20(18)33-21(19)13-17)26-24(30)25-15-6-4-3-5-7-15/h3-14,22,27H,1-2H3,(H,28,29)(H2,25,26,30)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				J Med Chem 52: 5408-19 (2009) Article DOI: 10.1021/jm900809r BindingDB Entry DOI: 10.7270/Q21J99SW
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