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BDBM50097540 CHEMBL434693::[1-(1,5-Dimethyl-hexyl)-7a-methyl-5-(1-methyl-6-oxo-cyclohex-2-enyl)-octahydro-inden-4-yl]-acetic acid

SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)[C@@]1(C)CC=CCC1=O

InChI Key: InChIKey=CLLFOYLEKLQVNI-VHHOZFFRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50097540   
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))		BDBM50097540
PNG
(CHEMBL434693 | [1-(1,5-Dimethyl-hexyl)-7a-methyl-5...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)[C@@]1(C)CC=CCC1=O |c:27|
Show InChI InChI=1S/C27H44O3/c1-18(2)9-8-10-19(3)21-12-13-22-20(17-25(29)30)23(14-16-26(21,22)4)27(5)15-7-6-11-24(27)28/h6-7,18-23H,8-17H2,1-5H3,(H,29,30)/t19-,20+,21-,22+,23+,26-,27-/m1/s1
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PC cid
PC sid
UniChem
PubMed
n/an/a 5.80E+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