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BDBM50257559 CHEMBL4103808

SMILES: Cc1cc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)ccn1

InChI Key: InChIKey=RJDUDNJPUMXPBA-UHFFFAOYSA-N

Data: 1 KI  1 Kd  1 EC50

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 = 50257559   
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))
BDBM50257559
PNG
(CHEMBL4103808)
Show SMILES Cc1cc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)ccn1
Show InChI InChI=1S/C23H18F4N4O/c1-13-10-16(6-8-28-13)32-19-5-4-15(12-18(19)24)17-7-9-31-20(11-14-2-3-14)29-30-22(31)21(17)23(25,26)27/h4-10,12,14H,2-3,11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.10n/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))
BDBM50257559
PNG
(CHEMBL4103808)
Show SMILES Cc1cc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)ccn1
Show InChI InChI=1S/C23H18F4N4O/c1-13-10-16(6-8-28-13)32-19-5-4-15(12-18(19)24)17-7-9-31-20(11-14-2-3-14)29-30-22(31)21(17)23(25,26)27/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 56n/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))
BDBM50257559
PNG
(CHEMBL4103808)
Show SMILES Cc1cc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)ccn1
Show InChI InChI=1S/C23H18F4N4O/c1-13-10-16(6-8-28-13)32-19-5-4-15(12-18(19)24)17-7-9-31-20(11-14-2-3-14)29-30-22(31)21(17)23(25,26)27/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 9.20n/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