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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 280.2
BDBM212837
Wt: 238.2
BDBM212840
Wt: 252.2
BDBM212841
Wt: 268.3
BDBM212842
Wt: 296.7
BDBM212846
Wt: 284.2
BDBM213080
Wt: 296.2
BDBM212849
Wt: 280.2
BDBM212850
Wt: 287.3
BDBM212852
Wt: 266.2
BDBM212853
Wt: 276.3
BDBM212854
Wt: 292.3
BDBM212855
Wt: 296.7
BDBM212856
Wt: 280.2
BDBM212857
Wt: 287.3
BDBM212858
Displayed 1 to 15 (of 315 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 15 hits in this display   
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
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM212850
PNG
(US9278960, 1-21)
Show SMILES Cc1ccc(c(F)c1)-c1cc(nc2ccccc12)C(N)=O
Show InChI InChI=1S/C17H13FN2O/c1-10-6-7-11(14(18)8-10)13-9-16(17(19)21)20-15-5-3-2-4-12(13)15/h2-9H,1H3,(H2,19,21)
PDB

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PC sid
UniChem
n/an/a 124n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9278960 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BQW
More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM212852
PNG
(US9278960, 1-23)
Show SMILES Cc1ccc(c(c1)C#N)-c1cc(nc2ccccc12)C(N)=O
Show InChI InChI=1S/C18H13N3O/c1-11-6-7-13(12(8-11)10-19)15-9-17(18(20)22)21-16-5-3-2-4-14(15)16/h2-9H,1H3,(H2,20,22)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
n/an/a 135n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9278960 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BQW
More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM212849
PNG
(US9278960, 1-20)
Show SMILES COc1ccc(c(F)c1)-c1cc(nc2ccccc12)C(N)=O
Show InChI InChI=1S/C17H13FN2O2/c1-22-10-6-7-11(14(18)8-10)13-9-16(17(19)21)20-15-5-3-2-4-12(13)15/h2-9H,1H3,(H2,19,21)
PDB

UniProtKB/SwissProt

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n/an/a 139n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9278960 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BQW
More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM212837
PNG
(US9278960, 1-7)
Show SMILES Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C17H13FN2O/c1-10-2-7-13-14(11-3-5-12(18)6-4-11)9-16(17(19)21)20-15(13)8-10/h2-9H,1H3,(H2,19,21)
PDB

UniProtKB/SwissProt

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PC sid
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n/an/a 159n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9278960 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BQW
More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM212853
PNG
(US9278960, 1-24)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccccc2n1
Show InChI InChI=1S/C16H11FN2O/c17-11-7-5-10(6-8-11)13-9-15(16(18)20)19-14-4-2-1-3-12(13)14/h1-9H,(H2,18,20)
PDB

UniProtKB/SwissProt

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n/an/a 169n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9278960 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BQW
More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM212858
PNG
(US9278960, 1-29)
Show SMILES Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H13N3O/c1-11-2-7-14-15(13-5-3-12(10-19)4-6-13)9-17(18(20)22)21-16(14)8-11/h2-9H,1H3,(H2,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 190n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9278960 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BQW
More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM212855
PNG
(US9278960, 1-26)
Show SMILES COc1ccc(cc1)-c1cc(nc2cc(C)ccc12)C(N)=O
Show InChI InChI=1S/C18H16N2O2/c1-11-3-8-14-15(12-4-6-13(22-2)7-5-12)10-17(18(19)21)20-16(14)9-11/h3-10H,1-2H3,(H2,19,21)
PDB

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n/an/a 217n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9278960 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BQW
More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM213080
PNG
(US9278960, 7-5)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2cccc(F)c2n1
Show InChI InChI=1S/C16H10F2N2O/c17-10-6-4-9(5-7-10)12-8-14(16(19)21)20-15-11(12)2-1-3-13(15)18/h1-8H,(H2,19,21)
PDB

UniProtKB/SwissProt

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n/an/a 338n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9278960 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BQW
More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM212846
PNG
(US9278960, 1-17)
Show SMILES Cc1cc(Cl)ccc1-c1cc(nc2ccccc12)C(N)=O
Show InChI InChI=1S/C17H13ClN2O/c1-10-8-11(18)6-7-12(10)14-9-16(17(19)21)20-15-5-3-2-4-13(14)15/h2-9H,1H3,(H2,19,21)
PDB

UniProtKB/SwissProt

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UniChem
n/an/a 368n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9278960 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BQW
More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM212856
PNG
(US9278960, 1-27)
Show SMILES Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccccc1Cl
Show InChI InChI=1S/C17H13ClN2O/c1-10-6-7-12-13(11-4-2-3-5-14(11)18)9-16(17(19)21)20-15(12)8-10/h2-9H,1H3,(H2,19,21)
PDB

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n/an/a 377n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9278960 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BQW
More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM212857
PNG
(US9278960, 1-28)
Show SMILES Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccccc1F
Show InChI InChI=1S/C17H13FN2O/c1-10-6-7-12-13(11-4-2-3-5-14(11)18)9-16(17(19)21)20-15(12)8-10/h2-9H,1H3,(H2,19,21)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
n/an/a 393n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9278960 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BQW
More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM212854
PNG
(US9278960, 1-25)
Show SMILES Cc1ccc(cc1)-c1cc(nc2cc(C)ccc12)C(N)=O
Show InChI InChI=1S/C18H16N2O/c1-11-3-6-13(7-4-11)15-10-17(18(19)21)20-16-9-12(2)5-8-14(15)16/h3-10H,1-2H3,(H2,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 407n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9278960 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BQW
More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM212842
PNG
(US9278960, 1-13)
Show SMILES Cc1cscc1-c1cc(nc2ccccc12)C(N)=O
Show InChI InChI=1S/C15H12N2OS/c1-9-7-19-8-12(9)11-6-14(15(16)18)17-13-5-3-2-4-10(11)13/h2-8H,1H3,(H2,16,18)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
n/an/a 641n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9278960 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BQW
More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM212841
PNG
(US9278960, 1-12)
Show SMILES Cn1cc(cn1)-c1cc(nc2ccccc12)C(N)=O
Show InChI InChI=1S/C14H12N4O/c1-18-8-9(7-16-18)11-6-13(14(15)19)17-12-5-3-2-4-10(11)12/h2-8H,1H3,(H2,15,19)
PDB

UniProtKB/SwissProt

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UniChem
n/an/a 678n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9278960 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BQW
More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM212840
PNG
(US9278960, 1-11)
Show SMILES NC(=O)c1cc(C2=CCCC2)c2ccccc2n1
Show InChI InChI=1S/C15H14N2O/c16-15(18)14-9-12(10-5-1-2-6-10)11-7-3-4-8-13(11)17-14/h3-5,7-9H,1-2,6H2,(H2,16,18)
PDB

UniProtKB/SwissProt

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n/an/a 822n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9278960 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6BQW
More data for this
Ligand-Target Pair