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BDBM50164482 CHEMBL3800265

SMILES: Cc1sc2nc(COc3ccc(F)cc3)cc(=O)n2c1[C@@H]1C[C@H]1CO

InChI Key: InChIKey=CJDCZVBFZVDWJU-XHDPSFHLSA-N

Data: 3 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 3 hits for monomerid = 50164482   
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))
BDBM50164482
PNG
(CHEMBL3800265)
Show SMILES Cc1sc2nc(COc3ccc(F)cc3)cc(=O)n2c1[C@@H]1C[C@H]1CO
Show InChI InChI=1S/C18H17FN2O3S/c1-10-17(15-6-11(15)8-22)21-16(23)7-13(20-18(21)25-10)9-24-14-4-2-12(19)3-5-14/h2-5,7,11,15,22H,6,8-9H2,1H3/t11-,15+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.40E+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
GRIA2


(Homo sapiens (Human))
BDBM50164482
PNG
(CHEMBL3800265)
Show SMILES Cc1sc2nc(COc3ccc(F)cc3)cc(=O)n2c1[C@@H]1C[C@H]1CO
Show InChI InChI=1S/C18H17FN2O3S/c1-10-17(15-6-11(15)8-22)21-16(23)7-13(20-18(21)25-10)9-24-14-4-2-12(19)3-5-14/h2-5,7,11,15,22H,6,8-9H2,1H3/t11-,15+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.30E+3n/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 (Human))
BDBM50164482
PNG
(CHEMBL3800265)
Show SMILES Cc1sc2nc(COc3ccc(F)cc3)cc(=O)n2c1[C@@H]1C[C@H]1CO
Show InChI InChI=1S/C18H17FN2O3S/c1-10-17(15-6-11(15)8-22)21-16(23)7-13(20-18(21)25-10)9-24-14-4-2-12(19)3-5-14/h2-5,7,11,15,22H,6,8-9H2,1H3/t11-,15+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/an/an/a 382n/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
3D
3D Structure (crystal)