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BDBM50073778 CHEMBL368743::N*2*-(2-Amino-ethyl)-9-ethyl-N*6*-(4-methoxy-phenyl)-9H-purine-2,6-diamine

SMILES: CCn1cnc2c(Nc3ccc(OC)cc3)nc(NCCN)nc12

InChI Key: InChIKey=TUSOCMWSVSCGKB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073778   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50073778
PNG
(CHEMBL368743 | N*2*-(2-Amino-ethyl)-9-ethyl-N*6*-(...)
Show SMILES CCn1cnc2c(Nc3ccc(OC)cc3)nc(NCCN)nc12
Show InChI InChI=1S/C16H21N7O/c1-3-23-10-19-13-14(20-11-4-6-12(24-2)7-5-11)21-16(18-9-8-17)22-15(13)23/h4-7,10H,3,8-9,17H2,1-2H3,(H2,18,20,21,22)
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Article
PubMed
n/an/a 550n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determined


Bioorg Med Chem Lett 9: 91-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00691-x
BindingDB Entry DOI: 10.7270/Q24Q7VHT
More data for this
Ligand-Target Pair