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BDBM50113754 2-[6-(3-Iodo-benzylamino)-9-isopropyl-9H-purin-2-ylamino]-3-methyl-butan-1-ol::CHEMBL76761

SMILES: CC(C)[C@H](CO)Nc1nc(NCc2cccc(I)c2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=FFLKTSQPQCHSCJ-INIZCTEOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113754   
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))
BDBM50113754
PNG
(2-[6-(3-Iodo-benzylamino)-9-isopropyl-9H-purin-2-y...)
Show SMILES CC(C)[C@H](CO)Nc1nc(NCc2cccc(I)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H27IN6O/c1-12(2)16(10-28)24-20-25-18(22-9-14-6-5-7-15(21)8-14)17-19(26-20)27(11-23-17)13(3)4/h5-8,11-13,16,28H,9-10H2,1-4H3,(H2,22,24,25,26)/t16-/m0/s1
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PC cid
PC sid
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PubMed
n/an/a 1.70E+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