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BDBM50279774 5-[3-(1,5-Dimethyl-hexyl)-3a,6-dimethyl-8-oxo-dodecahydro-7-oxa-cyclopenta[a]naphthalen-6-yl]-pent-2-enenitrile::CHEMBL171487

SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)O[C@@](C)(CC\C=C/C#N)[C@H]3CC[C@]12C

InChI Key: InChIKey=PIKMPFHAGPWQAM-NIPDPKGRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50279774   
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
phosphatase Cdc25


(Homo sapiens (Human))		BDBM50279774
PNG
(5-[3-(1,5-Dimethyl-hexyl)-3a,6-dimethyl-8-oxo-dode...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)O[C@@](C)(CC\C=C/C#N)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H43NO2/c1-19(2)10-9-11-20(3)22-12-13-23-21-18-25(29)30-27(5,15-7-6-8-17-28)24(21)14-16-26(22,23)4/h6,8,19-24H,7,9-16,18H2,1-5H3/b8-6-/t20-,21+,22-,23+,24+,26-,27+/m1/s1
MMDB

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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair