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SMILES: CCCCc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)CCO)cc1

InChI Key: InChIKey=MBGOSGHMYMSSRG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50290566   
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-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2


(Homo sapiens (Human))		BDBM50290566
PNG
(2-[[6-(4-Butyl-benzylamino)-9-isopropyl-9H-purin-2...)
Show SMILES CCCCc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)CCO)cc1
Show InChI InChI=1S/C23H34N6O2/c1-4-5-6-18-7-9-19(10-8-18)15-24-21-20-22(29(16-25-20)17(2)3)27-23(26-21)28(11-13-30)12-14-31/h7-10,16-17,30-31H,4-6,11-15H2,1-3H3,(H,24,26,27)
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Similars
Article
n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E

Bioorg Med Chem Lett 7: 2697-2702 (1997)


Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q
More data for this
Ligand-Target Pair