BDBM50395264 CHEMBL2163605

SMILES: CCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccccc1Cl

InChI Key: InChIKey=GEGHZQQXQVCRQJ-HDJSIYSDSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50395264   

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))	BDBM50395264 (CHEMBL2163605) Show SMILES CCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccccc1Cl |r,wU:5.4,wD:8.8,(75.96,-83,;75.95,-84.54,;74.62,-85.31,;74.62,-86.85,;75.95,-87.62,;77.28,-86.85,;77.28,-85.32,;78.63,-84.56,;79.96,-85.34,;81.3,-84.57,;79.95,-86.88,;78.62,-87.64,;73.29,-87.61,;71.96,-86.85,;70.49,-87.33,;69.58,-86.08,;70.49,-84.82,;71.96,-85.3,;73.29,-84.53,;73.29,-82.99,;71.96,-82.22,;70.64,-82.98,;69.3,-82.22,;69.3,-80.67,;70.64,-79.9,;71.97,-80.67,;73.31,-79.91,)| Show InChI InChI=1S/C20H25ClN6/c1-2-15-19(24-14-9-7-13(22)8-10-14)26-18-11-12-23-27(18)20(15)25-17-6-4-3-5-16(17)21/h3-6,11-14,25H,2,7-10,22H2,1H3,(H,24,26)/t13-,14-	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	1.50E+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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50395264 (CHEMBL2163605) Show SMILES CCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccccc1Cl |r,wU:5.4,wD:8.8,(75.96,-83,;75.95,-84.54,;74.62,-85.31,;74.62,-86.85,;75.95,-87.62,;77.28,-86.85,;77.28,-85.32,;78.63,-84.56,;79.96,-85.34,;81.3,-84.57,;79.95,-86.88,;78.62,-87.64,;73.29,-87.61,;71.96,-86.85,;70.49,-87.33,;69.58,-86.08,;70.49,-84.82,;71.96,-85.3,;73.29,-84.53,;73.29,-82.99,;71.96,-82.22,;70.64,-82.98,;69.3,-82.22,;69.3,-80.67,;70.64,-79.9,;71.97,-80.67,;73.31,-79.91,)| Show InChI InChI=1S/C20H25ClN6/c1-2-15-19(24-14-9-7-13(22)8-10-14)26-18-11-12-23-27(18)20(15)25-17-6-4-3-5-16(17)21/h3-6,11-14,25H,2,7-10,22H2,1H3,(H,24,26)/t13-,14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP 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