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BDBM50087212 (S)-7-(2-Fluoro-benzyloxy)-6,8-diiodo-2-(3-phenyl-propionyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid::CHEMBL158869

SMILES: OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccccc3F)c(I)c2CN1C(=O)CCc1ccccc1

InChI Key: InChIKey=LDLJGMOOCVGMPN-QFIPXVFZSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50087212   
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))
BDBM50087212
PNG
((S)-7-(2-Fluoro-benzyloxy)-6,8-diiodo-2-(3-phenyl-...)
Show SMILES OC(=O)[C@@H]1Cc2cc(I)c(OCc3ccccc3F)c(I)c2CN1C(=O)CCc1ccccc1
Show InChI InChI=1S/C26H22FI2NO4/c27-20-9-5-4-8-17(20)15-34-25-21(28)12-18-13-22(26(32)33)30(14-19(18)24(25)29)23(31)11-10-16-6-2-1-3-7-16/h1-9,12,22H,10-11,13-15H2,(H,32,33)/t22-/m0/s1
PDB
MMDB

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PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



Pharmacia & Upjohn Company

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)


BindingDB Entry DOI: 10.7270/Q2KS6QRN
More data for this
Ligand-Target Pair