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 = 'BDBM50170174'   

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))	BDBM50170174 (CHEMBL3804941) Show SMILES CCC1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H30F3N3O2/c1-2-20-11-14-34(15-12-20)18-23-5-8-24(16-26(23)28(29,30)31)33-27(35)19-36-25-9-6-21(7-10-25)22-4-3-13-32-17-22/h3-10,13,16-17,20H,2,11-12,14-15,18-19H2,1H3,(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...				J Med Chem 59: 3063-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01712 BindingDB Entry DOI: 10.7270/Q2028TF3
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