Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50102807'   

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))	BDBM50102807 (CHEMBL3359067) Show SMILES COc1cccc(CNC(=O)c2nc3ccc(cc3c(=O)[nH]2)-c2ccccc2)c1 Show InChI InChI=1S/C23H19N3O3/c1-29-18-9-5-6-15(12-18)14-24-23(28)21-25-20-11-10-17(13-19(20)22(27)26-21)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,28)(H,25,26,27)	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	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry				J Med Chem 57: 8886-902 (2014) Article DOI: 10.1021/jm500981k BindingDB Entry DOI: 10.7270/Q28P628P
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