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SMILES: CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(Cl)c(N)c2)n1)C(C)C

InChI Key: InChIKey=MYIRKTSBSZGFPO-HNNXBMFYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 36787   
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))		BDBM36787
PNG
(2-(1 R-isopropyl-2-hydroxyethylamino)-9-isopropylp...)
Show SMILES CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(Cl)c(N)c2)n1)C(C)C |r|
Show InChI InChI=1S/C19H28ClN7O/c1-10(2)15(8-28)24-19-25-17(23-12-5-6-13(20)14(21)7-12)16-18(26-19)27(9-22-16)11(3)4/h5-7,10-11,15,22,28H,8-9,21H2,1-4H3,(H2,23,24,25,26)/t15-/m0/s1
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Similars
Article
PubMed
n/an/a 52n/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