Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'MAP kinase-interacting serine/threonine-protein kinase 1' and Ligand = 'BDBM50321929'   

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
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50321929 (3-((1-Cyclohexyl-3-hydroxypropan-2-ylamino)methyl)...) Show SMILES OCC(CC1CCCCC1)NCc1coc2cccc(OCC3CCCCC3)c2c1=O Show InChI InChI=1S/C26H37NO4/c28-16-22(14-19-8-3-1-4-9-19)27-15-21-18-31-24-13-7-12-23(25(24)26(21)29)30-17-20-10-5-2-6-11-20/h7,12-13,18-20,22,27-28H,1-6,8-11,14-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
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