Compile Data Set for Download or QSAR
Found 4 Enz. Inhib. hit(s) for PDB: 5CGD
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Heptares Therapeutics Ltd.

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H
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 Ltd.

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H
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 Ltd.

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H
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 Ltd.

Curated by ChEMBL
LigandPNGBDBM50113476(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H
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