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BDBM50164394 CHEMBL3800085

SMILES: CCN(Cc1cc(=O)n2c(c(C)sc2n1)-c1cncnc1)c1ccc(F)cc1

InChI Key: InChIKey=FTVBSUKOMCKIJE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50164394   
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


(Homo sapiens (Human))
BDBM50164394
PNG
(CHEMBL3800085)
Show SMILES CCN(Cc1cc(=O)n2c(c(C)sc2n1)-c1cncnc1)c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN5OS/c1-3-25(17-6-4-15(21)5-7-17)11-16-8-18(27)26-19(13(2)28-20(26)24-16)14-9-22-12-23-10-14/h4-10,12H,3,11H2,1-2H3
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 972n/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
NR1/NR2A


(Homo sapiens (Human))
BDBM50164394
PNG
(CHEMBL3800085)
Show SMILES CCN(Cc1cc(=O)n2c(c(C)sc2n1)-c1cncnc1)c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN5OS/c1-3-25(17-6-4-15(21)5-7-17)11-16-8-18(27)26-19(13(2)28-20(26)24-16)14-9-22-12-23-10-14/h4-10,12H,3,11H2,1-2H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/an/a 137n/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