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SMILES: CN1CCN(CC1)C(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2C1(C)C

InChI Key: InChIKey=ORRMXVSTILKSNY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50027418   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50027418
PNG
(CHEMBL597199)
Show SMILES CN1CCN(CC1)C(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2C1(C)C
Show InChI InChI=1S/C20H25FN6O2/c1-20(2)16-15(12-27(20)19(29)26-10-8-25(3)9-11-26)17(24-23-16)22-18(28)13-4-6-14(21)7-5-13/h4-7H,8-12H2,1-3H3,(H2,22,23,24,28)
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Article
PubMed
n/an/a 46n/an/an/an/an/an/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