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SMILES COc1ccc(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1F

InChI Key InChIKey=NYBZCKAQIIPSDS-UHFFFAOYSA-N

  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 25 hits for monomerid = 50283472   

TargetSubstance-P receptor(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataKi:  650nMAssay Description:Displacement of [3H] substance P from recombinant human NK1 receptor expressed in CHO cells after 90 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetMetabotropic glutamate receptor 8(Homo sapiens (Human))TBA
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataEC50:  2.60E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetMetabotropic glutamate receptor 8(Rattus norvegicus (Rat))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataEC50:  2.63E+3nMAssay Description:Positive allosteric modulation of rat mGlu8 receptor expressed in HEK cells co-expressing Galphai5 assessed as increase in glutamate-induced calcium ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 15 mins followed by NADPH addition measured after...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetMetabotropic glutamate receptor 4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataEC50: <1.00E+4nMAssay Description:Positive allosteric modulation of human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in glutamate-induced calcium mo...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetMetabotropic glutamate receptor 4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in glutamate-induced calcium mo...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetMetabotropic glutamate receptor 2(Rattus norvegicus)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of rat mGlu2 receptor expressed in HEK cells assessed as increase in glutamate-induced calcium flux incubated for 142 ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetMetabotropic glutamate receptor 2(Rattus norvegicus)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Negative allosteric modulation of rat mGlu2 receptor expressed in HEK cells assessed as decrease in glutamate-induced thallium flux incubated for 142...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetMetabotropic glutamate receptor 6(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Negative allosteric modulation of human mGlu6 receptor expressed in HEK cells harboring GIRK channel assessed as decrease in glutamate-induced thalli...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetMetabotropic glutamate receptor 1(RAT)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of rat mGlu1 receptor expressed in HEK cells assessed as increase in glutamate-induced calcium flux incubated for 142 ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetMetabotropic glutamate receptor 8(Rattus norvegicus (Rat))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataEC50:  2.60E+3nMAssay Description:Positive allosteric modulation of rat mGlu8 receptor expressed in HEK cells co-expressing Galphai5 assessed as increase in glutamate-induced calcium ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetMetabotropic glutamate receptor 7(Rattus norvegicus (Rat))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataEC50:  646nMAssay Description:Positive allosteric modulation of rat mGlu7 receptor expressed in HEK cells co-expressing Galphai5 assessed as increase in glutamate-induced calcium ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataIC50: 3.40E+3nMAssay Description:Displacement of [3H] substance P from recombinant human NK1 receptor expressed in CHO cells after 90 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataIC50: 3.08E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 15 mins followed by NADPH addition measured after 8 min...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataIC50: 2.47E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 15 mins followed by NADPH addition measured after 8 min...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by NADPH addition measured after 8 mins...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetMetabotropic glutamate receptor 3(Rattus norvegicus (Rat))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of rat mGlu3 receptor expressed in HEK cells assessed as increase in glutamate-induced calcium flux incubated for 142 ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetMetabotropic glutamate receptor 1(RAT)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Negative allosteric modulation of rat mGlu1 receptor expressed in HEK cells assessed as decrease in glutamate-induced thallium flux incubated for 142...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Negative allosteric modulation of rat mGlu5 receptor expressed in HEK cells assessed as decrease in glutamate-induced thallium flux incubated for 142...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetMetabotropic glutamate receptor 6(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human mGlu6 receptor expressed in HEK cells assessed as increase in glutamate-induced calcium flux incubated for 14...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetMetabotropic glutamate receptor 7(Rattus norvegicus (Rat))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataEC50:  650nMAssay Description:Positive allosteric modulation of rat mGlu7 receptor expressed in HEK cells co-expressing Galphai5 assessed as increase in glutamate-induced calcium ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetMetabotropic glutamate receptor 4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails
TargetMetabotropic glutamate receptor 7(Homo sapiens (Human))TBA
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataEC50:  649nMMore data for this Ligand-Target Pair
In DepthDetails
TargetMetabotropic glutamate receptor 3(Rattus norvegicus (Rat))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Negative allosteric modulation of rat mGlu3 receptor expressed in HEK cells harboring GIRK channel assessed as decrease in glutamate-induced thallium...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50283472(CHEMBL4160748)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of rat mGlu5 receptor expressed in HEK cells assessed as increase in glutamate-induced calcium flux incubated for 142 ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85BN1PubMed