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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50113724'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50113724
PNG
(2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H28N6O2/c1-5-15(11-27)23-20-24-18(17-19(25-20)26(12-22-17)13(2)3)21-10-14-6-8-16(28-4)9-7-14/h6-9,12-13,15,27H,5,10-11H2,1-4H3,(H2,21,23,24,25)/t15-/m1/s1
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n/an/a 1.30E+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