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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50113704   
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))		BDBM50113704
PNG
(2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2...)
Show SMILES CCC(C)[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H27ClN6O/c1-5-13(4)16(10-28)24-20-25-18(23-15-8-6-7-14(21)9-15)17-19(26-20)27(11-22-17)12(2)3/h6-9,11-13,16,28H,5,10H2,1-4H3,(H2,23,24,25,26)/t13?,16-/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