BDBM50529987 CHEMBL4448788

SMILES Cc1cccc(n1)C#C\C=C1/CCN(C1)C(=O)c1cccc(Cl)c1

InChI Key InChIKey=BBLONYQGHILASQ-OMCISZLKSA-N

Data  2 KI  8 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50529987   

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

Curated by ChEMBL
LigandPNGBDBM50529987(CHEMBL4448788)
Affinity DataKi:  3.90nMAssay 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
LigandPNGBDBM50529987(CHEMBL4448788)
Affinity DataKi:  3.90nMAssay 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
TargetCytochrome P450 2D6(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529987(CHEMBL4448788)
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
LigandPNGBDBM50529987(CHEMBL4448788)
Affinity DataIC50:  27nMAssay 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 1A2(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529987(CHEMBL4448788)
Affinity DataIC50:  5.90E+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
TargetCytochrome P450 2D6(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529987(CHEMBL4448788)
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
LigandPNGBDBM50529987(CHEMBL4448788)
Affinity DataIC50:  27nMAssay 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 3A4(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529987(CHEMBL4448788)
Affinity DataIC50:  1.29E+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 1A2(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529987(CHEMBL4448788)
Affinity DataIC50:  5.90E+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
TargetCytochrome P450 3A4(Homo sapiens (Human))
Recordati

Curated by ChEMBL
LigandPNGBDBM50529987(CHEMBL4448788)
Affinity DataIC50:  1.29E+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