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BDBM50417073 CHEMBL1234887

SMILES: CCNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F

InChI Key: InChIKey=MEANENDBNRVQSP-UHFFFAOYSA-N

Data: 2 EC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50417073   
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))
BDBM50417073
PNG
(CHEMBL1234887)
Show SMILES CCNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
Show InChI InChI=1S/C18H22F3N5O2S/c1-2-23-7-10-8-26(25-15(10)18(19,20)21)9-13(27)24-17-14(16(22)28)11-5-3-4-6-12(11)29-17/h8,23H,2-7,9H2,1H3,(H2,22,28)(H,24,27)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 794n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417073
PNG
(CHEMBL1234887)
Show SMILES CCNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
Show InChI InChI=1S/C18H22F3N5O2S/c1-2-23-7-10-8-26(25-15(10)18(19,20)21)9-13(27)24-17-14(16(22)28)11-5-3-4-6-12(11)29-17/h8,23H,2-7,9H2,1H3,(H2,22,28)(H,24,27)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 794n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)