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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50113688   
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))		BDBM50113688
PNG
(2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...)
Show SMILES COc1ccc(CNc2nc(NCC(O)c3ccccc3)nc3n(cnc23)C(C)C)cc1
Show InChI InChI=1S/C24H28N6O2/c1-16(2)30-15-27-21-22(25-13-17-9-11-19(32-3)12-10-17)28-24(29-23(21)30)26-14-20(31)18-7-5-4-6-8-18/h4-12,15-16,20,31H,13-14H2,1-3H3,(H2,25,26,28,29)
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n/an/a 2.80E+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