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BDBM50080064 1-[(Z)-2-Cycloheptyloxy-2-(2,6-dichloro-phenyl)-vinyl]-1H-[1,2,4]triazole::1-[2-Cycloheptyloxy-2-(2,6-dichloro-phenyl)-vinyl]-1H-[1,2,4]triazole(Ro 64-5229)::CHEMBL305406

SMILES: Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1

InChI Key: InChIKey=STCVFKBRXOEQRF-YBEGLDIGSA-N

Data: 5 KI  2 IC50

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 = 50080064   
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))
BDBM50080064
PNG
(1-[(Z)-2-Cycloheptyloxy-2-(2,6-dichloro-phenyl)-vi...)
Show SMILES Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1
Show InChI InChI=1S/C17H19Cl2N3O/c18-14-8-5-9-15(19)17(14)16(10-22-12-20-11-21-22)23-13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2/b16-10-
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PubMed
110n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist potency against cloned Metabotropic glutamate receptor 2


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50080064
PNG
(1-[(Z)-2-Cycloheptyloxy-2-(2,6-dichloro-phenyl)-vi...)
Show SMILES Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1
Show InChI InChI=1S/C17H19Cl2N3O/c18-14-8-5-9-15(19)17(14)16(10-22-12-20-11-21-22)23-13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2/b16-10-
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50080064
PNG
(1-[(Z)-2-Cycloheptyloxy-2-(2,6-dichloro-phenyl)-vi...)
Show SMILES Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1
Show InChI InChI=1S/C17H19Cl2N3O/c18-14-8-5-9-15(19)17(14)16(10-22-12-20-11-21-22)23-13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2/b16-10-
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned human Metabotropic glutamate receptor 4 (mGluR-4)


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50080064
PNG
(1-[(Z)-2-Cycloheptyloxy-2-(2,6-dichloro-phenyl)-vi...)
Show SMILES Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1
Show InChI InChI=1S/C17H19Cl2N3O/c18-14-8-5-9-15(19)17(14)16(10-22-12-20-11-21-22)23-13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2/b16-10-
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MMDB

KEGG

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B.MOAD
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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned metabotropic glutamate receptor 5


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50080064
PNG
(1-[(Z)-2-Cycloheptyloxy-2-(2,6-dichloro-phenyl)-vi...)
Show SMILES Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1
Show InChI InChI=1S/C17H19Cl2N3O/c18-14-8-5-9-15(19)17(14)16(10-22-12-20-11-21-22)23-13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2/b16-10-
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned human metabotropic glutamate receptor 1


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50080064
PNG
(1-[(Z)-2-Cycloheptyloxy-2-(2,6-dichloro-phenyl)-vi...)
Show SMILES Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1
Show InChI InChI=1S/C17H19Cl2N3O/c18-14-8-5-9-15(19)17(14)16(10-22-12-20-11-21-22)23-13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2/b16-10-
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DCG IV binding on rat mGluR2 transfected cell membranes from CHO cells


Bioorg Med Chem Lett 9: 2173-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00346-7
BindingDB Entry DOI: 10.7270/Q27S7MZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50080064
PNG
(1-[(Z)-2-Cycloheptyloxy-2-(2,6-dichloro-phenyl)-vi...)
Show SMILES Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1
Show InChI InChI=1S/C17H19Cl2N3O/c18-14-8-5-9-15(19)17(14)16(10-22-12-20-11-21-22)23-13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2/b16-10-
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 10 uM 1S, 3R-ACPD stimulated GTP gamma 35S binding to rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 9: 2173-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00346-7
BindingDB Entry DOI: 10.7270/Q27S7MZC
More data for this
Ligand-Target Pair