Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50142437'   

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))	BDBM50142437 (CHEMBL3758508) Show SMILES Cc1cc(cc(n1)C(=O)NCc1ccccc1)-c1nnn(C[C@H]2CC[C@H](CO)CC2)n1 |r,wU:22.23,wD:25.27,(-2.4,-1.39,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.32,-7.71,;3.98,-8.48,;2.65,-7.7,;2.66,-6.16,;,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,;.84,12.3,;2.07,12.42,;1.11,9.64,;.48,8.24,;-1.25,3.96,)| Show InChI InChI=1S/C23H28N6O2/c1-16-11-20(12-21(25-16)23(31)24-13-17-5-3-2-4-6-17)22-26-28-29(27-22)14-18-7-9-19(15-30)10-8-18/h2-6,11-12,18-19,30H,7-10,13-15H2,1H3,(H,24,31)/t18-,19-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	119	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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