BDBM50395287 CHEMBL2163614

SMILES: CCOC(=O)c1cccc(Nc2c(C)c(N[C@H]3CC[C@H](N)CC3)nc3ccnn23)c1

InChI Key: InChIKey=JRYNLODJMAKSHC-QAQDUYKDSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50395287   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50395287 (CHEMBL2163614) Show SMILES CCOC(=O)c1cccc(Nc2c(C)c(N[C@H]3CC[C@H](N)CC3)nc3ccnn23)c1 |r,wU:16.15,wD:19.19,(32.2,-67.34,;33.54,-68.11,;33.54,-69.65,;34.87,-70.42,;34.87,-71.96,;36.21,-69.65,;36.2,-68.1,;37.54,-67.33,;38.87,-68.1,;38.86,-69.64,;40.19,-70.42,;40.19,-71.96,;41.52,-72.73,;42.86,-71.97,;41.52,-74.27,;42.85,-75.04,;44.19,-74.28,;44.19,-72.75,;45.53,-71.98,;46.86,-72.76,;48.2,-72,;46.85,-74.3,;45.52,-75.06,;40.19,-75.04,;38.86,-74.27,;37.39,-74.75,;36.48,-73.5,;37.39,-72.25,;38.86,-72.72,;37.54,-70.41,)| Show InChI InChI=1S/C22H28N6O2/c1-3-30-22(29)15-5-4-6-18(13-15)26-21-14(2)20(27-19-11-12-24-28(19)21)25-17-9-7-16(23)8-10-17/h4-6,11-13,16-17,26H,3,7-10,23H2,1-2H3,(H,25,27)/t16-,17-	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	1.90E+3	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
					More data for this Ligand-Target Pair