BDBM50027428 CHEMBL603249

SMILES: CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccc(cc3)C(F)(F)F)n[nH]c2C1(C)C

InChI Key: InChIKey=NUXMDKWZVUQHTP-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 = 50027428   

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
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50027428 (CHEMBL603249) Show SMILES CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccc(cc3)C(F)(F)F)n[nH]c2C1(C)C Show InChI InChI=1S/C22H26F3N5O2/c1-21(2)17-16(12-30(21)20(32)14-8-10-29(3)11-9-14)18(28-27-17)26-19(31)13-4-6-15(7-5-13)22(23,24)25/h4-7,14H,8-12H2,1-3H3,(H2,26,27,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay				Bioorg Med Chem 18: 1844-53 (2010) Article DOI: 10.1016/j.bmc.2010.01.042 BindingDB Entry DOI: 10.7270/Q21R6RG5
					More data for this Ligand-Target Pair