BDBM50529971 CHEMBL4464022

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

InChI Key InChIKey=IYTQXIHFMMOOJL-UHFFFAOYSA-N

Data  4 KI  8 IC50

  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 12 hits for monomerid = 50529971   

TargetCytochrome P450 2D6(Human)
Recordati

Curated by ChEMBL
LigandPNGBDBM50529971(CHEMBL4464022)
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
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Recordati

Curated by ChEMBL
LigandPNGBDBM50529971(CHEMBL4464022)
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
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetMetabotropic glutamate receptor 5(Human)
Recordati

Curated by ChEMBL
LigandPNGBDBM50529971(CHEMBL4464022)
Affinity DataIC50: 15nMAssay 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
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Recordati

Curated by ChEMBL
LigandPNGBDBM50529971(CHEMBL4464022)
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
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Recordati

Curated by ChEMBL
LigandPNGBDBM50529971(CHEMBL4464022)
Affinity DataIC50: 2.00E+4nMAssay 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
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Recordati

Curated by ChEMBL
LigandPNGBDBM50529971(CHEMBL4464022)
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
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Recordati

Curated by ChEMBL
LigandPNGBDBM50529971(CHEMBL4464022)
Affinity DataIC50: 2.00E+4nMAssay 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
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetMetabotropic glutamate receptor 5(Human)
Recordati

Curated by ChEMBL
LigandPNGBDBM50529971(CHEMBL4464022)
Affinity DataIC50: 15nMAssay 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
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetMetabotropic glutamate receptor 5(Human)
Recordati

Curated by ChEMBL
LigandPNGBDBM50529971(CHEMBL4464022)
Affinity DataKi:  8.60nMAssay 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
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetMetabotropic glutamate receptor 5(Human)
Recordati

Curated by ChEMBL
LigandPNGBDBM50529971(CHEMBL4464022)
Affinity DataKi:  8.60nMAssay 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
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetMetabotropic glutamate receptor 1(Rat)
Recordati

Curated by ChEMBL
LigandPNGBDBM50529971(CHEMBL4464022)
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
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetMetabotropic glutamate receptor 1(Rat)
Recordati

Curated by ChEMBL
LigandPNGBDBM50529971(CHEMBL4464022)
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
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed