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BDBM36788 2-(1 R-isopropyl-2-hydroxyethylamino)-9-isopropylpurine core C6-substituent, 73

SMILES: CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(Br)cc2)n1)C(C)C

InChI Key: InChIKey=PDTJDQJHJNIUKS-GGYSOQFKNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 36788   
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))
BDBM36788
PNG
(2-(1 R-isopropyl-2-hydroxyethylamino)-9-isopropylp...)
Show SMILES CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(Br)cc2)n1)C(C)C
Show InChI InChI=1/C19H27BrN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-13(20)6-8-14)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-/s2
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Similars

Article
PubMed
n/an/a 40n/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