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BDBM50113702 2-{Benzyl-[6-(3-chloro-phenylamino)-9-isopropyl-9H-purin-2-yl]-amino}-3-methyl-butan-1-ol::CHEMBL80755

SMILES: CC(C)[C@H](CO)N(Cc1ccccc1)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=GIDUEZMTXMQBHS-QFIPXVFZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113702   
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))
BDBM50113702
PNG
(2-{Benzyl-[6-(3-chloro-phenylamino)-9-isopropyl-9H...)
Show SMILES CC(C)[C@H](CO)N(Cc1ccccc1)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C26H31ClN6O/c1-17(2)22(15-34)32(14-19-9-6-5-7-10-19)26-30-24(29-21-12-8-11-20(27)13-21)23-25(31-26)33(16-28-23)18(3)4/h5-13,16-18,22,34H,14-15H2,1-4H3,(H,29,30,31)/t22-/m0/s1
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PC cid
PC sid
UniChem
PubMed
n/an/a 5.00E+6n/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