BDBM50395278 CHEMBL2163984

SMILES: Fc1ccc(Nc2cc(NC3CCCNC3)nc3ccnn23)cc1Cl

InChI Key: InChIKey=DQHGXHGUNOSYSE-UHFFFAOYSA-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 = 50395278   

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))	BDBM50395278 (CHEMBL2163984) Show SMILES Fc1ccc(Nc2cc(NC3CCCNC3)nc3ccnn23)cc1Cl Show InChI InChI=1S/C17H18ClFN6/c18-13-8-11(3-4-14(13)19)23-17-9-15(22-12-2-1-6-20-10-12)24-16-5-7-21-25(16)17/h3-5,7-9,12,20,23H,1-2,6,10H2,(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	400	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))	BDBM50395278 (CHEMBL2163984) Show SMILES Fc1ccc(Nc2cc(NC3CCCNC3)nc3ccnn23)cc1Cl Show InChI InChI=1S/C17H18ClFN6/c18-13-8-11(3-4-14(13)19)23-17-9-15(22-12-2-1-6-20-10-12)24-16-5-7-21-25(16)17/h3-5,7-9,12,20,23H,1-2,6,10H2,(H,22,24)	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	700	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