Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50295512'   

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))	BDBM50295512 ((S)-2-(7-Aminodibenzo[b,d]furan-3-sulfonamido)-3-m...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1cc(N)ccc21)C(O)=O |r| Show InChI InChI=1S/C17H18N2O5S/c1-9(2)16(17(20)21)19-25(22,23)11-4-6-13-12-5-3-10(18)7-14(12)24-15(13)8-11/h3-9,16,19H,18H2,1-2H3,(H,20,21)/t16-/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	1.09E+3	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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