BDBM50027419 CHEMBL597198

SMILES: CC(=O)N1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2C1(C)C

InChI Key: InChIKey=SLPVPGYVCSWHFM-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 = 50027419   

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))	BDBM50027419 (CHEMBL597198) Show SMILES CC(=O)N1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2C1(C)C Show InChI InChI=1S/C22H26FN5O3/c1-13(29)27-10-8-15(9-11-27)21(31)28-12-17-18(22(28,2)3)25-26-19(17)24-20(30)14-4-6-16(23)7-5-14/h4-7,15H,8-12H2,1-3H3,(H2,24,25,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	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
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