Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 11' and Ligand = 'BDBM50279080'   

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
Mitogen-activated protein kinase kinase kinase 11 (Homo sapiens (Human))	BDBM50279080 ((Z)-3-[(4-{Methyl-[2-(4-methylpiperazin-1-yl)acety...) Show SMILES COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10| Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,28H,15-18,20H2,1-3H3,(H,33,38)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a
Califia Bio Inc. Curated by ChEMBL					Assay Description Binding affinity to human MLK3				J Med Chem 56: 8032-48 (2013) Article DOI: 10.1021/jm401094t BindingDB Entry DOI: 10.7270/Q2P270KS
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