BDBM50259612 CHEMBL513491::sodium 6-(5-chloro-2-(2-chloro-4-fluorobenzyloxy)benzyl)picolinate

SMILES [O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2Cl)n1

InChI Key InChIKey=ATYIYCGUNFUDCG-UHFFFAOYSA-M

Data  1 KI  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50259612   

TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50259612(CHEMBL513491 | sodium 6-(5-chloro-2-(2-chloro-4-fl...)
Affinity DataKi:  100nMAssay Description:Antagonist activity at human recombinant EP1 receptor expressed in CHO cells assessed as inhibition of PGE2-mediated intracellular calcium mobilizati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50259612(CHEMBL513491 | sodium 6-(5-chloro-2-(2-chloro-4-fl...)
Affinity DataIC50:  2.80E+4nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50259612(CHEMBL513491 | sodium 6-(5-chloro-2-(2-chloro-4-fl...)
Affinity DataIC50:  1.50E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50259612(CHEMBL513491 | sodium 6-(5-chloro-2-(2-chloro-4-fl...)
Affinity DataIC50:  3.50E+4nMAssay Description:Inhibition of human CYP3A4 using DEF substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50259612(CHEMBL513491 | sodium 6-(5-chloro-2-(2-chloro-4-fl...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human CYP3A4 using PPR substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50259612(CHEMBL513491 | sodium 6-(5-chloro-2-(2-chloro-4-fl...)
Affinity DataIC50:  12.6nMAssay Description:Displacement of [3H]PGE2 from human EP1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50259612(CHEMBL513491 | sodium 6-(5-chloro-2-(2-chloro-4-fl...)
Affinity DataIC50:  6.10E+4nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50259612(CHEMBL513491 | sodium 6-(5-chloro-2-(2-chloro-4-fl...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed