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BDBM50113747 2-(9-Isopropyl-6-phenylamino-9H-purin-2-ylamino)-3-methyl-butan-1-ol::CHEMBL76670

SMILES: CC(C)[C@H](CO)Nc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=AMWNMXOYNCVODT-HNNXBMFYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113747   
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 1


(Homo sapiens (Human))
BDBM50113747
PNG
(2-(9-Isopropyl-6-phenylamino-9H-purin-2-ylamino)-3...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-12(2)15(10-26)22-19-23-17(21-14-8-6-5-7-9-14)16-18(24-19)25(11-20-16)13(3)4/h5-9,11-13,15,26H,10H2,1-4H3,(H2,21,22,23,24)/t15-/m0/s1
PDB

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PubMed
n/an/a 2.40E+5n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1)


J Med Chem 45: 2366-78 (2002)


BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair