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BDBM50087217 (S)-7-(3-Chloro-propoxy)-2-((Z)-2-fluoro-3-phenyl-acryloyl)-6,8-diiodo-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid::CHEMBL160475

SMILES: OC(=O)[C@@H]1Cc2cc(I)c(OCCCCl)c(I)c2CN1C(=O)C(\F)=C\c1ccccc1

InChI Key: InChIKey=MMXXNWFEDFCQOS-VUZIPCMWSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50087217   
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
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50087217
PNG
((S)-7-(3-Chloro-propoxy)-2-((Z)-2-fluoro-3-phenyl-...)
Show SMILES OC(=O)[C@@H]1Cc2cc(I)c(OCCCCl)c(I)c2CN1C(=O)C(\F)=C\c1ccccc1
Show InChI InChI=1S/C22H19ClFI2NO4/c23-7-4-8-31-20-17(25)10-14-11-18(22(29)30)27(12-15(14)19(20)26)21(28)16(24)9-13-5-2-1-3-6-13/h1-3,5-6,9-10,18H,4,7-8,11-12H2,(H,29,30)/b16-9-/t18-/m0/s1
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Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Compound was measured for its inhibitory activity against Cell division cycle 25B


Bioorg Med Chem Lett 10: 649-52 (2000)


Article DOI: 10.1016/s0960-894x(00)00069-x
BindingDB Entry DOI: 10.7270/Q2KS6QRN
More data for this
Ligand-Target Pair