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BDBM50097545 CHEMBL354041::[17-(1,5-Dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yloxythiocarbonylsulfanyl]-acetic acid ethyl ester

SMILES: CCOC(=O)CSC(=S)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]23)C1

InChI Key: InChIKey=CYWCMLOYTYFTBO-RMQSDJMDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50097545   
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))		BDBM50097545
PNG
(CHEMBL354041 | [17-(1,5-Dimethyl-hexyl)-10,13-dime...)
Show SMILES CCOC(=O)CSC(=S)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C32H54O3S2/c1-7-34-29(33)20-37-30(36)35-24-15-17-31(5)23(19-24)11-12-25-27-14-13-26(22(4)10-8-9-21(2)3)32(27,6)18-16-28(25)31/h21-28H,7-20H2,1-6H3/t22-,23+,24+,25+,26-,27+,28+,31+,32-/m1/s1
MMDB

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Similars
PubMed
n/an/a>1.00E+5n/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