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SMILES: Cc1cc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2Cl)ccn1

InChI Key: InChIKey=JFAYICLXERWYOZ-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 3 hits for monomerid = 50257558   
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))
BDBM50257558
PNG
(CHEMBL4093620)
Show SMILES Cc1cc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2Cl)ccn1
Show InChI InChI=1S/C22H18ClFN4O/c1-13-10-16(6-8-25-13)29-19-5-4-15(12-18(19)24)17-7-9-28-20(11-14-2-3-14)26-27-22(28)21(17)23/h4-10,12,14H,2-3,11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
63n/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 microbeta counting a...


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))
BDBM50257558
PNG
(CHEMBL4093620)
Show SMILES Cc1cc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2Cl)ccn1
Show InChI InChI=1S/C22H18ClFN4O/c1-13-10-16(6-8-25-13)29-19-5-4-15(12-18(19)24)17-7-9-28-20(11-14-2-3-14)26-27-22(28)21(17)23/h4-10,12,14H,2-3,11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 38n/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))
BDBM50257558
PNG
(CHEMBL4093620)
Show SMILES Cc1cc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2Cl)ccn1
Show InChI InChI=1S/C22H18ClFN4O/c1-13-10-16(6-8-25-13)29-19-5-4-15(12-18(19)24)17-7-9-28-20(11-14-2-3-14)26-27-22(28)21(17)23/h4-10,12,14H,2-3,11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 251n/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