BDBM50482941 CHEMBL1270319

SMILES: CC(=O)N1CCC(CC1)n1cc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12

InChI Key: InChIKey=UBJOERFPSFZJGL-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50482941   

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
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50482941 (CHEMBL1270319) Show SMILES CC(=O)N1CCC(CC1)n1cc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12 Show InChI InChI=1S/C23H30N6O2/c1-14(30)28-10-8-17(9-11-28)29-13-19(22(24)31)18-7-6-15-12-25-23(27-20(15)21(18)29)26-16-4-2-3-5-16/h12-13,16-17H,2-11H2,1H3,(H2,24,31)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A				Bioorg Med Chem Lett 20: 6764-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.131 BindingDB Entry DOI: 10.7270/Q2X069V6
					More data for this Ligand-Target Pair