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BDBM50097539 CHEMBL354578::[5-(5-Cyano-1-methyl-pent-1-enyl)-1-(1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-yl]-acetic acid

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

InChI Key: InChIKey=NOPMAKMFPGTZEJ-KWMKJCDBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50097539   
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))		BDBM50097539
PNG
(CHEMBL354578 | [5-(5-Cyano-1-methyl-pent-1-enyl)-1...)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)C(\C)=C/CCCC#N
Show InChI InChI=1S/C27H45NO2/c1-19(2)10-9-12-21(4)24-13-14-25-23(18-26(29)30)22(15-16-27(24,25)5)20(3)11-7-6-8-17-28/h11,19,21-25H,6-10,12-16,18H2,1-5H3,(H,29,30)/b20-11-/t21?,22-,23-,24-,25+,27-/m1/s1
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PC cid
PC sid
UniChem
PubMed
n/an/a 2.40E+3n/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