Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50197523'   

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))	BDBM50197523 (CHEMBL3976588) Show SMILES COc1cccc(CNC(=O)C#Cc2cn(Cc3ccc(cc3)C(O)=O)c(=O)[nH]c2=O)c1 Show InChI InChI=1S/C23H19N3O6/c1-32-19-4-2-3-16(11-19)12-24-20(27)10-9-18-14-26(23(31)25-21(18)28)13-15-5-7-17(8-6-15)22(29)30/h2-8,11,14H,12-13H2,1H3,(H,24,27)(H,29,30)(H,25,28,31)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 using thiopeptide as chromogenic substrate by colorimetric assay				J Med Chem 60: 89-99 (2017) Article DOI: 10.1021/acs.jmedchem.6b01123 BindingDB Entry DOI: 10.7270/Q2R78H5B
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