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BDBM50523865 CHEMBL4476495

SMILES: COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1ccnc1

InChI Key: InChIKey=QDBAGSYNQOBNDU-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50523865   
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 1


(Homo sapiens (Human))
BDBM50523865
PNG
(CHEMBL4476495)
Show SMILES COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1ccnc1
Show InChI InChI=1S/C20H15F3N4O4/c1-28-16-6-3-12(9-17(16)29-2)18-25-26-19(30-18)14-10-13(31-20(21,22)23)4-5-15(14)27-8-7-24-11-27/h3-11H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu1 receptor (unknown origin)


Bioorg Med Chem Lett 29: 1211-1214 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.016
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50523865
PNG
(CHEMBL4476495)
Show SMILES COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1ccnc1
Show InChI InChI=1S/C20H15F3N4O4/c1-28-16-6-3-12(9-17(16)29-2)18-25-26-19(30-18)14-10-13(31-20(21,22)23)4-5-15(14)27-8-7-24-11-27/h3-11H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu7 receptor expressed in HEK cells co-expressing Galpha15 assessed as reduction in calcium mobilization incu...


Bioorg Med Chem Lett 29: 1211-1214 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.016
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50523865
PNG
(CHEMBL4476495)
Show SMILES COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1ccnc1
Show InChI InChI=1S/C20H15F3N4O4/c1-28-16-6-3-12(9-17(16)29-2)18-25-26-19(30-18)14-10-13(31-20(21,22)23)4-5-15(14)27-8-7-24-11-27/h3-11H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu2 receptor (unknown origin)


Bioorg Med Chem Lett 29: 1211-1214 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.016
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM50523865
PNG
(CHEMBL4476495)
Show SMILES COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1ccnc1
Show InChI InChI=1S/C20H15F3N4O4/c1-28-16-6-3-12(9-17(16)29-2)18-25-26-19(30-18)14-10-13(31-20(21,22)23)4-5-15(14)27-8-7-24-11-27/h3-11H,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu6 receptor (unknown origin)


Bioorg Med Chem Lett 29: 1211-1214 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.016
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50523865
PNG
(CHEMBL4476495)
Show SMILES COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1ccnc1
Show InChI InChI=1S/C20H15F3N4O4/c1-28-16-6-3-12(9-17(16)29-2)18-25-26-19(30-18)14-10-13(31-20(21,22)23)4-5-15(14)27-8-7-24-11-27/h3-11H,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu4 receptor (unknown origin)


Bioorg Med Chem Lett 29: 1211-1214 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.016
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Homo sapiens (Human))
BDBM50523865
PNG
(CHEMBL4476495)
Show SMILES COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1ccnc1
Show InChI InChI=1S/C20H15F3N4O4/c1-28-16-6-3-12(9-17(16)29-2)18-25-26-19(30-18)14-10-13(31-20(21,22)23)4-5-15(14)27-8-7-24-11-27/h3-11H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu8 receptor (unknown origin)


Bioorg Med Chem Lett 29: 1211-1214 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.016
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50523865
PNG
(CHEMBL4476495)
Show SMILES COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1ccnc1
Show InChI InChI=1S/C20H15F3N4O4/c1-28-16-6-3-12(9-17(16)29-2)18-25-26-19(30-18)14-10-13(31-20(21,22)23)4-5-15(14)27-8-7-24-11-27/h3-11H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 receptor (unknown origin)


Bioorg Med Chem Lett 29: 1211-1214 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.016
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50523865
PNG
(CHEMBL4476495)
Show SMILES COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1ccnc1
Show InChI InChI=1S/C20H15F3N4O4/c1-28-16-6-3-12(9-17(16)29-2)18-25-26-19(30-18)14-10-13(31-20(21,22)23)4-5-15(14)27-8-7-24-11-27/h3-11H,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 receptor (unknown origin)


Bioorg Med Chem Lett 29: 1211-1214 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.016
More data for this
Ligand-Target Pair