Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50084202'   

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))	BDBM50084202 ((R)-1-(4-Butoxy-benzenesulfonyl)-4-[(Z)-hydroxyimi...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C=C(C[C@@H]1C(=O)NO)NO |c:16| Show InChI InChI=1S/C15H21N3O6S/c1-2-3-8-24-12-4-6-13(7-5-12)25(22,23)18-10-11(16-20)9-14(18)15(19)17-21/h4-7,10,14,16,20-21H,2-3,8-9H2,1H3,(H,17,19)/t14-/m1/s1	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant collagenase-3 (Matrix metalloproteinase-13)				J Med Chem 42: 5426-36 (2000) BindingDB Entry DOI: 10.7270/Q2Q23ZGT
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