Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50204008'   

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))	BDBM50204008 (CHEMBL3950850) Show SMILES O=C(Cc1c[nH]cn1)N1CCN(CC1)c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1 Show InChI InChI=1S/C25H25N7O3/c33-22(13-18-15-26-16-28-18)32-10-8-31(9-11-32)19-5-3-4-17(12-19)14-27-25(35)23-29-21-7-2-1-6-20(21)24(34)30-23/h1-7,12,15-16H,8-11,13-14H2,(H,26,28)(H,27,35)(H,29,30,34)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
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