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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50113709   
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))		BDBM50113709
PNG
(2-{Ethyl-[9-isopropyl-6-(4-methoxy-benzylamino)-9H...)
Show SMILES CCN(CCO)c1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H28N6O2/c1-5-25(10-11-27)20-23-18(17-19(24-20)26(13-22-17)14(2)3)21-12-15-6-8-16(28-4)9-7-15/h6-9,13-14,27H,5,10-12H2,1-4H3,(H,21,23,24)
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PubMed
n/an/a 1.20E+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