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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50113755   
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))		BDBM50113755
PNG
(2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H](CO)Cc3ccccc3)nc12
Show InChI InChI=1S/C23H25ClN6O/c1-15(2)30-14-25-20-21(26-18-10-6-9-17(24)12-18)28-23(29-22(20)30)27-19(13-31)11-16-7-4-3-5-8-16/h3-10,12,14-15,19,31H,11,13H2,1-2H3,(H2,26,27,28,29)/t19-/m1/s1
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n/an/a 5.00E+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