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BDBM50113713 1-Amino-3-[9-isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-ylamino]-propan-2-ol::CHEMBL419830

SMILES: COc1ccc(CNc2nc(NCC(O)CN)nc3n(cnc23)C(C)C)cc1

InChI Key: InChIKey=FMUNEYJNNXTMMG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113713   
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))
BDBM50113713
PNG
(1-Amino-3-[9-isopropyl-6-(4-methoxy-benzylamino)-9...)
Show SMILES COc1ccc(CNc2nc(NCC(O)CN)nc3n(cnc23)C(C)C)cc1
Show InChI InChI=1S/C19H27N7O2/c1-12(2)26-11-23-16-17(21-9-13-4-6-15(28-3)7-5-13)24-19(25-18(16)26)22-10-14(27)8-20/h4-7,11-12,14,27H,8-10,20H2,1-3H3,(H2,21,22,24,25)
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PC cid
PC sid
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PubMed
n/an/a 1.60E+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