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SMILES: COc1ccc(CNc2nc(nc3n(Cc4cccc(c4)[N+]([O-])=O)cnc23)N(CCO)CCO)cc1

InChI Key: InChIKey=WJIJXRPYHPGZKU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50290614   
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))		BDBM50290614
PNG
(2-{(2-Hydroxy-ethyl)-[6-(4-methoxy-benzylamino)-9-...)
Show SMILES COc1ccc(CNc2nc(nc3n(Cc4cccc(c4)[N+]([O-])=O)cnc23)N(CCO)CCO)cc1
Show InChI InChI=1S/C24H27N7O5/c1-36-20-7-5-17(6-8-20)14-25-22-21-23(28-24(27-22)29(9-11-32)10-12-33)30(16-26-21)15-18-3-2-4-19(13-18)31(34)35/h2-8,13,16,32-33H,9-12,14-15H2,1H3,(H,25,27,28)
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PC cid
PC sid
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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