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BDBM50328510 2-Amino-5-oxo-4,7-diphenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile::CHEMBL1258989

SMILES: N=C1OC2=C(C(C1C#N)c1ccccc1)C(=O)CC(C2)c1ccccc1

InChI Key: InChIKey=IYDVUKBNPNZQMP-UHFFFAOYNA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50328510   
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
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50328510
PNG
(2-Amino-5-oxo-4,7-diphenyl-5,6,7,8-tetrahydro-4H-c...)
Show SMILES N=C1OC2=C(C(C1C#N)c1ccccc1)C(=O)CC(C2)c1ccccc1
Show InChI InChI=1/C22H18N2O2/c23-13-17-20(15-9-5-2-6-10-15)21-18(25)11-16(12-19(21)26-22(17)24)14-7-3-1-4-8-14/h1-10,16-17,20,24H,11-12H2
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human EAAT1 expressed in HEK293 cells assessed as inhibition of 3[H]-D-Aspartate uptake after 6 mins by scintillation counting method


J Med Chem 55: 5403-12 (2012)


Article DOI: 10.1021/jm300345z
BindingDB Entry DOI: 10.7270/Q2Q81F5W
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50328510
PNG
(2-Amino-5-oxo-4,7-diphenyl-5,6,7,8-tetrahydro-4H-c...)
Show SMILES N=C1OC2=C(C(C1C#N)c1ccccc1)C(=O)CC(C2)c1ccccc1
Show InChI InChI=1/C22H18N2O2/c23-13-17-20(15-9-5-2-6-10-15)21-18(25)11-16(12-19(21)26-22(17)24)14-7-3-1-4-8-14/h1-10,16-17,20,24H,11-12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human EAAT1 expressed in HEK293 cells by [3H]D-Asp uptake assay


J Med Chem 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair