BDBM50113476 CHEMBL3603923::US10246432, Example 17::US10584111, Ex No. 17::US11584732, Example 17

SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N

InChI Key InChIKey=FQAXDSVNYVVQSE-UHFFFAOYSA-N

Data  4 KI  9 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50113476   

TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Affinity DataKi:  0.501nMAssay Description:Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysisMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Affinity DataKi:  0.537nMAssay Description:Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Affinity DataKi:  0.537nMAssay Description:After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Affinity DataKi:  0.537nMAssay Description:After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Affinity DataIC50: <1.58E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Affinity DataIC50: <1.58E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Affinity DataIC50: <1.58E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Affinity DataIC50:  0.501nMAssay Description:Inhibition of mGLU5 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Affinity DataIC50:  1.26E+3nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Affinity DataIC50:  0.631nMAssay Description:Negative allosteric modulation at human mGlu5 receptor expressed in HEK293 cells assessed as inhibition of L-quisqualic acid-induced inositol phospha...More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Affinity DataIC50: <1.58E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Affinity DataIC50: <3.16E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Heptares Therapeutics

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Affinity DataIC50: <1.58E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed