BDBM50442525 CHEMBL2440659::US8796295, Table 2: Compound: 1

SMILES Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1

InChI Key InChIKey=AXVLPJHYYFHCHK-UHFFFAOYSA-N

Data  1 KI  7 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50442525   

TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50442525(CHEMBL2440659 | US8796295, Table 2: Compound: 1)
Show SMILES Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
Show InChI InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)
Affinity DataKi:  6.80nMAssay Description:Displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor allosteric binding site (unknown origin)More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50442525(CHEMBL2440659 | US8796295, Table 2: Compound: 1)
Show SMILES Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
Show InChI InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)
Affinity DataIC50: 23nMAssay Description:The utility of the compounds in accordance with the present invention as negative allosteric modulators of metabotropic glutamate receptor activity, ...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50442525(CHEMBL2440659 | US8796295, Table 2: Compound: 1)
Show SMILES Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
Show InChI InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)
Affinity DataIC50: 26nMAssay Description:Inhibition of mGluR5 (unknown origin)More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Vanderbilt University Institute of Imaging Science

Curated by ChEMBL
LigandPNGBDBM50442525(CHEMBL2440659 | US8796295, Table 2: Compound: 1)
Show SMILES Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
Show InChI InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)
Affinity DataIC50: 24nMAssay Description:Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
Vanderbilt University Institute of Imaging Science

Curated by ChEMBL
LigandPNGBDBM50442525(CHEMBL2440659 | US8796295, Table 2: Compound: 1)
Show SMILES Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
Show InChI InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)
Affinity DataIC50: 100nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using tacrine as substrate preincubated for 5 mins followed by NADPH addition measured after 8 mins by...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Vanderbilt University Institute of Imaging Science

Curated by ChEMBL
LigandPNGBDBM50442525(CHEMBL2440659 | US8796295, Table 2: Compound: 1)
Show SMILES Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
Show InChI InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)
Affinity DataIC50: 24nMAssay Description:Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Vanderbilt University Institute of Imaging Science

Curated by ChEMBL
LigandPNGBDBM50442525(CHEMBL2440659 | US8796295, Table 2: Compound: 1)
Show SMILES Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
Show InChI InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)
Affinity DataIC50: 25nMAssay Description:The utility of the compounds in accordance with the present invention as negative allosteric modulators of metabotropic glutamate receptor activity, ...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Vanderbilt University Medical Center

Curated by ChEMBL
LigandPNGBDBM50442525(CHEMBL2440659 | US8796295, Table 2: Compound: 1)
Show SMILES Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
Show InChI InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)
Affinity DataIC50: 49nMAssay Description:Allosteric modulation of human mGlu5 receptor expressed in HEK cells assessed as effect on glutamate-induced calcium mobilizationMore data for this Ligand-Target Pair