BDBM50482978 CHEMBL1271330

SMILES: CN1CCN(CC1)c1cccc(Nc2ncc3CCc4c(cn(C)c4-c3n2)C(N)=O)c1

InChI Key: InChIKey=LXPGTNVSVSANEJ-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 = 50482978   

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))	BDBM50482978 (CHEMBL1271330) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3CCc4c(cn(C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C23H27N7O/c1-28-8-10-30(11-9-28)17-5-3-4-16(12-17)26-23-25-13-15-6-7-18-19(22(24)31)14-29(2)21(18)20(15)27-23/h3-5,12-14H,6-11H2,1-2H3,(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	1	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