Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50142441'   

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))	BDBM50142441 (CHEMBL3759511) Show SMILES COc1cccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(C[C@H]3CC[C@H](CC3)NS(C)(=O)=O)n2)c1 |r,wU:26.30,23.23,(6.64,-9.72,;6.65,-8.49,;5.32,-7.71,;3.98,-8.48,;2.65,-7.7,;2.66,-6.16,;3.99,-5.4,;4,-3.86,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.4,-1.39,;,-1.54,;,3.08,;1.24,3.97,;.77,5.43,;-.77,5.43,;-1.68,6.67,;-1.05,8.08,;-1.95,9.33,;-1.32,10.73,;.21,10.89,;1.11,9.64,;.48,8.24,;.84,12.3,;2.37,12.45,;3.09,11.45,;2.88,13.58,;3.6,12.58,;-1.25,3.96,;5.33,-6.17,)| Show InChI InChI=1S/C24H31N7O4S/c1-16-11-19(13-22(26-16)24(32)25-14-18-5-4-6-21(12-18)35-2)23-27-30-31(28-23)15-17-7-9-20(10-8-17)29-36(3,33)34/h4-6,11-13,17,20,29H,7-10,14-15H2,1-3H3,(H,25,32)/t17-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of full length human recombinant MMP13 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followe...				J Med Chem 59: 313-27 (2016) Article DOI: 10.1021/acs.jmedchem.5b01434 BindingDB Entry DOI: 10.7270/Q20G3N0F
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