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SMILES: CC(C)[C@@H](CO)Nc1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C

InChI Key: InChIKey=JJOFDTJDUULAGG-OAHLLOKOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 36765   
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))		BDBM36765
PNG
(6-(3-chloroanilino)-9-isopropylpurine core C2-subs...)
Show SMILES CC(C)[C@@H](CO)Nc1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
Show InChI InChI=1S/C19H27ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,11-12,15,21,27H,9-10H2,1-4H3,(H2,22,23,24,25)/t15-/m1/s1
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Similars
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



University of California, Berkeley



Assay Description
Inhibition assay using CDK1/cyclin B.

Chem Biol 6: 361-75 (1999)


Article DOI: 10.1016/S1074-5521(99)80048-9
BindingDB Entry DOI: 10.7270/Q2HM56TM
More data for this
Ligand-Target Pair