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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50001465   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 7


(Rattus norvegicus (Rat))
BDBM50280369
PNG
(CHEMBL4169114)
Show SMILES CCOc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C19H17F3N4O4/c1-3-29-16-7-4-12(8-17(16)28-2)18(27)25-14-9-13(30-19(20,21)22)5-6-15(14)26-11-23-10-24-26/h4-11H,3H2,1-2H3,(H,25,27)
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n/an/a 510n/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


(Rattus norvegicus (Rat))
BDBM50280369
PNG
(CHEMBL4169114)
Show SMILES CCOc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C19H17F3N4O4/c1-3-29-16-7-4-12(8-17(16)28-2)18(27)25-14-9-13(30-19(20,21)22)5-6-15(14)26-11-23-10-24-26/h4-11H,3H2,1-2H3,(H,25,27)
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n/an/a 513n/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


(Rattus norvegicus (Rat))
BDBM50280374
PNG
(CHEMBL4174742)
Show SMILES CCc1nc2c(CC(CC2=O)c2ccc(C)cc2C)o1
Show InChI InChI=1S/C17H19NO2/c1-4-16-18-17-14(19)8-12(9-15(17)20-16)13-6-5-10(2)7-11(13)3/h5-7,12H,4,8-9H2,1-3H3
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n/an/a 676n/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


(Rattus norvegicus (Rat))
BDBM50280374
PNG
(CHEMBL4174742)
Show SMILES CCc1nc2c(CC(CC2=O)c2ccc(C)cc2C)o1
Show InChI InChI=1S/C17H19NO2/c1-4-16-18-17-14(19)8-12(9-15(17)20-16)13-6-5-10(2)7-11(13)3/h5-7,12H,4,8-9H2,1-3H3
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n/an/a 676n/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


(Rattus norvegicus (Rat))
BDBM50280370
PNG
(CHEMBL4160395)
Show SMILES COc1cc(ccc1OC1CC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C20H17F3N4O4/c1-29-18-8-12(2-7-17(18)30-13-3-4-13)19(28)26-15-9-14(31-20(21,22)23)5-6-16(15)27-11-24-10-25-27/h2,5-11,13H,3-4H2,1H3,(H,26,28)
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n/an/a 708n/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


(Rattus norvegicus (Rat))
BDBM50280370
PNG
(CHEMBL4160395)
Show SMILES COc1cc(ccc1OC1CC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C20H17F3N4O4/c1-29-18-8-12(2-7-17(18)30-13-3-4-13)19(28)26-15-9-14(31-20(21,22)23)5-6-16(15)27-11-24-10-25-27/h2,5-11,13H,3-4H2,1H3,(H,26,28)
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n/an/a 710n/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


(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 7


(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


(Rattus norvegicus (Rat))
BDBM50280372
PNG
(CHEMBL4165849)
Show SMILES COc1cc(ccc1OC(C)C)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C20H19F3N4O4/c1-12(2)30-17-7-4-13(8-18(17)29-3)19(28)26-15-9-14(31-20(21,22)23)5-6-16(15)27-11-24-10-25-27/h4-12H,1-3H3,(H,26,28)
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n/an/a 776n/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


(Rattus norvegicus (Rat))
BDBM50280373
PNG
(CHEMBL4161847)
Show SMILES CCCOc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C20H19F3N4O4/c1-3-8-30-17-7-4-13(9-18(17)29-2)19(28)26-15-10-14(31-20(21,22)23)5-6-16(15)27-12-24-11-25-27/h4-7,9-12H,3,8H2,1-2H3,(H,26,28)
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n/an/a 776n/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


(Rattus norvegicus (Rat))
BDBM50280372
PNG
(CHEMBL4165849)
Show SMILES COc1cc(ccc1OC(C)C)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C20H19F3N4O4/c1-12(2)30-17-7-4-13(8-18(17)29-3)19(28)26-15-9-14(31-20(21,22)23)5-6-16(15)27-11-24-10-25-27/h4-12H,1-3H3,(H,26,28)
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n/an/a 780n/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


(Rattus norvegicus (Rat))
BDBM50280373
PNG
(CHEMBL4161847)
Show SMILES CCCOc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C20H19F3N4O4/c1-3-8-30-17-7-4-13(9-18(17)29-2)19(28)26-15-10-14(31-20(21,22)23)5-6-16(15)27-12-24-11-25-27/h4-7,9-12H,3,8H2,1-2H3,(H,26,28)
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n/an/a 780n/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


(Rattus norvegicus (Rat))
BDBM50280367
PNG
(CHEMBL4170997)
Show SMILES COc1cc(ccc1OC1CCCC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C22H21F3N4O4/c1-31-20-10-14(6-9-19(20)32-15-4-2-3-5-15)21(30)28-17-11-16(33-22(23,24)25)7-8-18(17)29-13-26-12-27-29/h6-13,15H,2-5H2,1H3,(H,28,30)
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n/an/a 1.35E+3n/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


(Rattus norvegicus (Rat))
BDBM50280367
PNG
(CHEMBL4170997)
Show SMILES COc1cc(ccc1OC1CCCC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C22H21F3N4O4/c1-31-20-10-14(6-9-19(20)32-15-4-2-3-5-15)21(30)28-17-11-16(33-22(23,24)25)7-8-18(17)29-13-26-12-27-29/h6-13,15H,2-5H2,1H3,(H,28,30)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu7 expressed in HEK cells co-expressing Galpha15 assessed as reduction in L-AP4-induced intracellular calciu...


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


(Rattus norvegicus (Rat))
BDBM50280371
PNG
(CHEMBL4160779)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(Cl)ccc1-n1cncn1
Show InChI InChI=1S/C17H15ClN4O3/c1-24-15-6-3-11(7-16(15)25-2)17(23)21-13-8-12(18)4-5-14(13)22-10-19-9-20-22/h3-10H,1-2H3,(H,21,23)
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n/an/a 5.75E+3n/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


(Rattus norvegicus (Rat))
BDBM50280371
PNG
(CHEMBL4160779)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(Cl)ccc1-n1cncn1
Show InChI InChI=1S/C17H15ClN4O3/c1-24-15-6-3-11(7-16(15)25-2)17(23)21-13-8-12(18)4-5-14(13)22-10-19-9-20-22/h3-10H,1-2H3,(H,21,23)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu7 expressed in HEK cells co-expressing Galpha15 assessed as reduction in L-AP4-induced intracellular calciu...


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/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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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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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 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 8


(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 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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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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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 8


(Rattus norvegicus (Rat))
BDBM50280371
PNG
(CHEMBL4160779)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(Cl)ccc1-n1cncn1
Show InChI InChI=1S/C17H15ClN4O3/c1-24-15-6-3-11(7-16(15)25-2)17(23)21-13-8-12(18)4-5-14(13)22-10-19-9-20-22/h3-10H,1-2H3,(H,21,23)
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n/an/a>3.00E+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))
BDBM50280371
PNG
(CHEMBL4160779)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(Cl)ccc1-n1cncn1
Show InChI InChI=1S/C17H15ClN4O3/c1-24-15-6-3-11(7-16(15)25-2)17(23)21-13-8-12(18)4-5-14(13)22-10-19-9-20-22/h3-10H,1-2H3,(H,21,23)
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n/an/a>3.00E+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 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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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 8


(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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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 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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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 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 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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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