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BDBM50257552 CHEMBL4092105

SMILES: CC(C)C(=O)c1ccc(OCc2ccc(CNC(=O)c3cn(C)cn3)cc2)c(c1O)C(F)(F)F

InChI Key: InChIKey=RYINQFMHVVYWNS-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 = 50257552   
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))
BDBM50257552
PNG
(CHEMBL4092105)
Show SMILES CC(C)C(=O)c1ccc(OCc2ccc(CNC(=O)c3cn(C)cn3)cc2)c(c1O)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O4/c1-14(2)21(31)17-8-9-19(20(22(17)32)24(25,26)27)34-12-16-6-4-15(5-7-16)10-28-23(33)18-11-30(3)13-29-18/h4-9,11,13-14,32H,10,12H2,1-3H3,(H,28,33)
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PubMed
79n/an/an/an/an/an/an/an/a



Leiden University

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)


BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257552
PNG
(CHEMBL4092105)
Show SMILES CC(C)C(=O)c1ccc(OCc2ccc(CNC(=O)c3cn(C)cn3)cc2)c(c1O)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O4/c1-14(2)21(31)17-8-9-19(20(22(17)32)24(25,26)27)34-12-16-6-4-15(5-7-16)10-28-23(33)18-11-30(3)13-29-18/h4-9,11,13-14,32H,10,12H2,1-3H3,(H,28,33)
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PubMed
n/an/an/an/a 107n/an/an/an/a



Leiden University

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)


BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50257552
PNG
(CHEMBL4092105)
Show SMILES CC(C)C(=O)c1ccc(OCc2ccc(CNC(=O)c3cn(C)cn3)cc2)c(c1O)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O4/c1-14(2)21(31)17-8-9-19(20(22(17)32)24(25,26)27)34-12-16-6-4-15(5-7-16)10-28-23(33)18-11-30(3)13-29-18/h4-9,11,13-14,32H,10,12H2,1-3H3,(H,28,33)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 100n/an/an/an/an/a



Leiden University

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)


BindingDB Entry DOI: 10.7270/Q24B33RJ
More data for this
Ligand-Target Pair