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SMILES: COc1ccc(CNc2nc(NCCCO)nc3n(cnc23)C(C)C)cc1

InChI Key: InChIKey=NZCWXCMQJWGCSQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113757   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM50113757
PNG
(3-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...)
Show SMILES COc1ccc(CNc2nc(NCCCO)nc3n(cnc23)C(C)C)cc1
Show InChI InChI=1S/C19H26N6O2/c1-13(2)25-12-22-16-17(21-11-14-5-7-15(27-3)8-6-14)23-19(24-18(16)25)20-9-4-10-26/h5-8,12-13,26H,4,9-11H2,1-3H3,(H2,20,21,23,24)
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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