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SMILES: Cc1c2C(=O)C(Cc2cc(OCc2cccc(c2)-c2ccc(cc2)C(O)=O)c1C)C1CCCC1

InChI Key: InChIKey=KMKBEESNZAPKMP-UHFFFAOYSA-N

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 7 hits for monomerid = 50335255   
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 2


(Homo sapiens (Human))
BDBM50335255
PNG
(3'-((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-...)
Show SMILES Cc1c2C(=O)C(Cc2cc(OCc2cccc(c2)-c2ccc(cc2)C(O)=O)c1C)C1CCCC1
Show InChI InChI=1S/C30H30O4/c1-18-19(2)28-25(15-26(29(28)31)22-7-3-4-8-22)16-27(18)34-17-20-6-5-9-24(14-20)21-10-12-23(13-11-21)30(32)33/h5-6,9-14,16,22,26H,3-4,7-8,15,17H2,1-2H3,(H,32,33)
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n/an/an/an/a 441n/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293A cells by calcium mobilization assay


J Med Chem 57: 4154-72 (2014)


Article DOI: 10.1021/jm5000563
BindingDB Entry DOI: 10.7270/Q2GH9KH9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50335255
PNG
(3'-((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-...)
Show SMILES Cc1c2C(=O)C(Cc2cc(OCc2cccc(c2)-c2ccc(cc2)C(O)=O)c1C)C1CCCC1
Show InChI InChI=1S/C30H30O4/c1-18-19(2)28-25(15-26(29(28)31)22-7-3-4-8-22)16-27(18)34-17-20-6-5-9-24(14-20)21-10-12-23(13-11-21)30(32)33/h5-6,9-14,16,22,26H,3-4,7-8,15,17H2,1-2H3,(H,32,33)
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n/an/an/an/a 27.5n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Allosteric modulation of human mGluR2 expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 175-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.008
BindingDB Entry DOI: 10.7270/Q2W95BD6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50335255
PNG
(3'-((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-...)
Show SMILES Cc1c2C(=O)C(Cc2cc(OCc2cccc(c2)-c2ccc(cc2)C(O)=O)c1C)C1CCCC1
Show InChI InChI=1S/C30H30O4/c1-18-19(2)28-25(15-26(29(28)31)22-7-3-4-8-22)16-27(18)34-17-20-6-5-9-24(14-20)21-10-12-23(13-11-21)30(32)33/h5-6,9-14,16,22,26H,3-4,7-8,15,17H2,1-2H3,(H,32,33)
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n/an/an/an/a 380n/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Positive allosteric modulation activity at rat mGlu2R expressed in HEK293 cells co-expressing GIRK channels by thallium flux assay


J Med Chem 55: 9434-45 (2012)


Article DOI: 10.1021/jm3005306
BindingDB Entry DOI: 10.7270/Q2RX9D78
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50335255
PNG
(3'-((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-...)
Show SMILES Cc1c2C(=O)C(Cc2cc(OCc2cccc(c2)-c2ccc(cc2)C(O)=O)c1C)C1CCCC1
Show InChI InChI=1S/C30H30O4/c1-18-19(2)28-25(15-26(29(28)31)22-7-3-4-8-22)16-27(18)34-17-20-6-5-9-24(14-20)21-10-12-23(13-11-21)30(32)33/h5-6,9-14,16,22,26H,3-4,7-8,15,17H2,1-2H3,(H,32,33)
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60n/an/an/an/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Displacement of [3H]-JNJ46281222 from human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes after 60 mins by liquid scintillation...


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50335255
PNG
(3'-((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-...)
Show SMILES Cc1c2C(=O)C(Cc2cc(OCc2cccc(c2)-c2ccc(cc2)C(O)=O)c1C)C1CCCC1
Show InChI InChI=1S/C30H30O4/c1-18-19(2)28-25(15-26(29(28)31)22-7-3-4-8-22)16-27(18)34-17-20-6-5-9-24(14-20)21-10-12-23(13-11-21)30(32)33/h5-6,9-14,16,22,26H,3-4,7-8,15,17H2,1-2H3,(H,32,33)
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n/an/an/a 190n/an/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50335255
PNG
(3'-((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-...)
Show SMILES Cc1c2C(=O)C(Cc2cc(OCc2cccc(c2)-c2ccc(cc2)C(O)=O)c1C)C1CCCC1
Show InChI InChI=1S/C30H30O4/c1-18-19(2)28-25(15-26(29(28)31)22-7-3-4-8-22)16-27(18)34-17-20-6-5-9-24(14-20)21-10-12-23(13-11-21)30(32)33/h5-6,9-14,16,22,26H,3-4,7-8,15,17H2,1-2H3,(H,32,33)
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n/an/an/an/a 93n/an/an/an/a



Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes assessed as increase in glutamate-induced...


J Med Chem 60: 6704-6720 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00669
BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50335255
PNG
(3'-((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-...)
Show SMILES Cc1c2C(=O)C(Cc2cc(OCc2cccc(c2)-c2ccc(cc2)C(O)=O)c1C)C1CCCC1
Show InChI InChI=1S/C30H30O4/c1-18-19(2)28-25(15-26(29(28)31)22-7-3-4-8-22)16-27(18)34-17-20-6-5-9-24(14-20)21-10-12-23(13-11-21)30(32)33/h5-6,9-14,16,22,26H,3-4,7-8,15,17H2,1-2H3,(H,32,33)
PDB

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CHEMBL
MCE
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Article
PubMed
n/an/an/an/a 380n/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR2 expressed in HEK-293 cells assessed as thaillium flux through GIRK channels


J Med Chem 54: 342-53 (2011)


Article DOI: 10.1021/jm1012165
BindingDB Entry DOI: 10.7270/Q2348MBW
More data for this
Ligand-Target Pair