Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 360.8 BDBM50395306

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395306 (CHEMBL2163985) Show SMILES Fc1ccc(Nc2cc(NC3CCNCC3)nc3ccnn23)cc1Cl Show InChI InChI=1S/C17H18ClFN6/c18-13-9-12(1-2-14(13)19)23-17-10-15(22-11-3-6-20-7-4-11)24-16-5-8-21-25(16)17/h1-2,5,8-11,20,23H,3-4,6-7H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
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