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BDBM50164444 CHEMBL3800605

SMILES: Cc1sc2nc(Cc3cccc(c3F)C(F)(F)F)cc(=O)n2c1C1CC1CO

InChI Key: InChIKey=CEYYRHMGNJNJEA-UHFFFAOYSA-N

Data: 3 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 = 50164444   
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
GRIA2


(HUMAN)
BDBM50164444
PNG
(CHEMBL3800605)
Show SMILES Cc1sc2nc(Cc3cccc(c3F)C(F)(F)F)cc(=O)n2c1C1CC1CO
Show InChI InChI=1S/C19H16F4N2O2S/c1-9-17(13-6-11(13)8-26)25-15(27)7-12(24-18(25)28-9)5-10-3-2-4-14(16(10)20)19(21,22)23/h2-4,7,11,13,26H,5-6,8H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 359n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GluA2 AMPAR flop isomer expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator dye ba...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Homo sapiens)
BDBM50164444
PNG
(CHEMBL3800605)
Show SMILES Cc1sc2nc(Cc3cccc(c3F)C(F)(F)F)cc(=O)n2c1C1CC1CO
Show InChI InChI=1S/C19H16F4N2O2S/c1-9-17(13-6-11(13)8-26)25-15(27)7-12(24-18(25)28-9)5-10-3-2-4-14(16(10)20)19(21,22)23/h2-4,7,11,13,26H,5-6,8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 454n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GluN1/GluN2A NMDAR (unknown origin) expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator ...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM50164444
PNG
(CHEMBL3800605)
Show SMILES Cc1sc2nc(Cc3cccc(c3F)C(F)(F)F)cc(=O)n2c1C1CC1CO
Show InChI InChI=1S/C19H16F4N2O2S/c1-9-17(13-6-11(13)8-26)25-15(27)7-12(24-18(25)28-9)5-10-3-2-4-14(16(10)20)19(21,22)23/h2-4,7,11,13,26H,5-6,8H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.70E+3n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GluA2 AMPAR flip isomer expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator dye ba...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair