Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity mitogen-activated protein kinase kinase 3' and Ligand = 'BDBM50118831'   

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
Dual specificity mitogen-activated protein kinase kinase 3 (Homo sapiens (Human))	BDBM50118831 (4-(6,7-Dimethoxy-quinazolin-4-yl)-piperazine-1-car...) Show SMILES COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccccc3)c2cc1OC Show InChI InChI=1S/C22H25N5O2S/c1-28-19-12-17-18(13-20(19)29-2)24-15-25-21(17)26-8-10-27(11-9-26)22(30)23-14-16-6-4-3-5-7-16/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,23,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Mitogen activated protein kinase kinase 3				J Med Chem 45: 4513-23 (2002) BindingDB Entry DOI: 10.7270/Q2JH3MXF
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