BDBM50529959 CHEMBL4551786

SMILES CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1

InChI Key InChIKey=NDVDBJIRXMBDOD-VGOFMYFVSA-N

Data  4 KI  24 IC50  2 EC50

  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 30 hits for monomerid = 50529959   

TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataKi:  3.5nMAssay Description:Displacement of [3H]MPEP from human mGlu5 receptor expressed in CHO-TREx cell membranes after 60 mins by liquid scintillation spectrometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataKi:  3.5nMAssay Description:Displacement of [3H]MPEP from human mGlu5 receptor expressed in CHO-TREx cell membranes after 60 mins by liquid scintillation spectrometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 1(RAT)
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]MPEP from rat mGlu1 receptor expressed in CHO-TREx cell membranes after 30 mins by liquid scintillation spectrometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 1(RAT)
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]MPEP from rat mGlu1 receptor expressed in CHO-TREx cell membranes after 30 mins by liquid scintillation spectrometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of recombinant human CYP3A4 using 7-benzyloxy-trifluoromethylcoumarin as substrate preincubated for 10 mins followed by substrate addition...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataEC50: >3.00E+4nMAssay Description:Agonist activity at human mGlu5 receptor expressed in CHO-TREx cell membranes assessed as increased in calcium activated photo protein aequorin level...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of recombinant human CYP2C19More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50:  4.52E+3nMAssay Description:Inhibition of recombinant human CYP1A2 using 3-cyano-7-ethoxycoumarin as substrate preincubated for 10 mins followed by substrate addition and measur...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50:  1.62E+4nMAssay Description:Inhibition of Cav1.2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of recombinant human CYP2C9More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of recombinant human CYP2C19More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of recombinant human CYP2D6 using 3-[2-(N,N-diethylamino)ethyl]-7-methoxy-4-methylcoumarin as substrate preincubated for 10 mins followed ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50: >2.00E+4nMAssay Description:Antagonist activity at human mGlu5 receptor expressed in CHO-TREx cell membranes assessed as reduction in calcium activated photo protein aequorin le...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of recombinant human CYP2B6More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50:  1.62E+4nMAssay Description:Inhibition of Cav1.2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50:  1.23E+4nMAssay Description:Inhibition of NaV1.5 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of recombinant human CYP2C9More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of recombinant human CYP2C8More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50: >2.00E+4nMAssay Description:Antagonist activity at human mGlu5 receptor expressed in CHO-TREx cell membranes assessed as reduction in calcium activated photo protein aequorin le...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50:  1.23E+4nMAssay Description:Inhibition of NaV1.5 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of recombinant human CYP3A4 using 7-benzyloxy-trifluoromethylcoumarin as substrate preincubated for 10 mins followed by substrate addition...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of recombinant human CYP2D6 using 3-[2-(N,N-diethylamino)ethyl]-7-methoxy-4-methylcoumarin as substrate preincubated for 10 mins followed ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50:  4.52E+3nMAssay Description:Inhibition of recombinant human CYP1A2 using 3-cyano-7-ethoxycoumarin as substrate preincubated for 10 mins followed by substrate addition and measur...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50:  4.10nMAssay Description:Negative allosteric modulation of human mGlu5 receptor expressed in CHO-TREx cell membranes assessed as reduction in quisqualate-induced Ca2+ mobiliz...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of recombinant human CYP2C8More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50:  4.10nMAssay Description:Negative allosteric modulation of human mGlu5 receptor expressed in CHO-TREx cell membranes assessed as reduction in quisqualate-induced Ca2+ mobiliz...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataEC50: >3.00E+4nMAssay Description:Agonist activity at human mGlu5 receptor expressed in CHO-TREx cell membranes assessed as increased in calcium activated photo protein aequorin level...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529959(CHEMBL4551786)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of recombinant human CYP2B6More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed