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BDBM50280368 CHEMBL4176971

SMILES: COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1

InChI Key: InChIKey=YCDOKDADFOBKIL-UHFFFAOYSA-N

Data: 11 IC50  7 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50280368   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50280368
PNG
(CHEMBL4176971)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin I converting enzyme of rats.


ACS Med Chem Lett 8: 1326-1330 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00429
BindingDB Entry DOI: 10.7270/Q25X2CG2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50280368
PNG
(CHEMBL4176971)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
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n/an/a 760n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu7 receptor expressed in HEK cells harboring Ga15 assessed as reduction in L-AP4-induced calcium flux preinc...


J Med Chem 62: 1690-1695 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01810
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50280368
PNG
(CHEMBL4176971)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin I converting enzyme of rats.


ACS Med Chem Lett 8: 1326-1330 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00429
BindingDB Entry DOI: 10.7270/Q25X2CG2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50280368
PNG
(CHEMBL4176971)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin I converting enzyme of rats.


ACS Med Chem Lett 8: 1326-1330 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00429
BindingDB Entry DOI: 10.7270/Q25X2CG2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50280368
PNG
(CHEMBL4176971)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin I converting enzyme of rats.


ACS Med Chem Lett 8: 1326-1330 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00429
BindingDB Entry DOI: 10.7270/Q25X2CG2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50280368
PNG
(CHEMBL4176971)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
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n/an/a 760n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin I converting enzyme of rats.


ACS Med Chem Lett 8: 1326-1330 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00429
BindingDB Entry DOI: 10.7270/Q25X2CG2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50280368
PNG
(CHEMBL4176971)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
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n/an/a 759n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin I converting enzyme of rats.


ACS Med Chem Lett 8: 1326-1330 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00429
BindingDB Entry DOI: 10.7270/Q25X2CG2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50280368
PNG
(CHEMBL4176971)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin I converting enzyme of rats.


ACS Med Chem Lett 8: 1326-1330 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00429
BindingDB Entry DOI: 10.7270/Q25X2CG2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50280368
PNG
(CHEMBL4176971)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin I converting enzyme of rats.


ACS Med Chem Lett 8: 1326-1330 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00429
BindingDB Entry DOI: 10.7270/Q25X2CG2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM50280368
PNG
(CHEMBL4176971)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin I converting enzyme of rats.


ACS Med Chem Lett 8: 1326-1330 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00429
BindingDB Entry DOI: 10.7270/Q25X2CG2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50280368
PNG
(CHEMBL4176971)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
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KEGG

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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin I converting enzyme of rats.


ACS Med Chem Lett 8: 1326-1330 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00429
BindingDB Entry DOI: 10.7270/Q25X2CG2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50280368
PNG
(CHEMBL4176971)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin I converting enzyme of rats.


ACS Med Chem Lett 8: 1326-1330 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00429
BindingDB Entry DOI: 10.7270/Q25X2CG2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50280368
PNG
(CHEMBL4176971)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin I converting enzyme of rats.


ACS Med Chem Lett 8: 1326-1330 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00429
BindingDB Entry DOI: 10.7270/Q25X2CG2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50280368
PNG
(CHEMBL4176971)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu8 expressed in HEK cells co-expressing Galpha15 assessed as reduction in L-AP4-induced intracellular calcium flux pret...


ACS Med Chem Lett 8: 1326-1330 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00429
BindingDB Entry DOI: 10.7270/Q25X2CG2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50280368
PNG
(CHEMBL4176971)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity at mGlu2 receptor (unknown origin)


ACS Med Chem Lett 8: 1326-1330 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00429
BindingDB Entry DOI: 10.7270/Q25X2CG2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50280368
PNG
(CHEMBL4176971)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase


ACS Med Chem Lett 8: 1326-1330 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00429
BindingDB Entry DOI: 10.7270/Q25X2CG2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50280368
PNG
(CHEMBL4176971)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
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n/an/a 759n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu7 receptor expressed in HEK cells harboring Ga15 assessed as reduction in L-AP4-induced calcium flux preinc...


J Med Chem 62: 1690-1695 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01810
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM50280368
PNG
(CHEMBL4176971)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin I converting enzyme of rats.


ACS Med Chem Lett 8: 1326-1330 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00429
BindingDB Entry DOI: 10.7270/Q25X2CG2
More data for this
Ligand-Target Pair