Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50295495'   

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))	BDBM50295495 ((S)-2-(7-(Ethoxycarbonylamino)dibenzo[b,d]thiophen...) Show SMILES CCOC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C20H22N2O6S2/c1-4-28-20(25)21-12-5-7-14-15-8-6-13(10-17(15)29-16(14)9-12)30(26,27)22-18(11(2)3)19(23)24/h5-11,18,22H,4H2,1-3H3,(H,21,25)(H,23,24)/t18-/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	56	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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