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BDBM50292989 2-Amino-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile::CHEMBL473867

SMILES: N=C1OC2=C(CC1C#N)C(=O)CC(C2)c1ccccc1

InChI Key: InChIKey=CIEMKRWQGQUNKM-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50292989   
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))
BDBM50292989
PNG
(2-Amino-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chrom...)
Show SMILES N=C1OC2=C(CC1C#N)C(=O)CC(C2)c1ccccc1
Show InChI InChI=1S/C16H14N2O2/c17-9-12-6-13-14(19)7-11(8-15(13)20-16(12)18)10-4-2-1-3-5-10/h1-5,11-12,18H,6-8H2
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]D-Asp from human EAAT1 receptor expressed in HEK293 cells


J Med Chem 52: 912-5 (2009)


Article DOI: 10.1021/jm8013458
BindingDB Entry DOI: 10.7270/Q2PV6KCP
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(Homo sapiens (Human))
BDBM50292989
PNG
(2-Amino-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chrom...)
Show SMILES N=C1OC2=C(CC1C#N)C(=O)CC(C2)c1ccccc1
Show InChI InChI=1S/C16H14N2O2/c17-9-12-6-13-14(19)7-11(8-15(13)20-16(12)18)10-4-2-1-3-5-10/h1-5,11-12,18H,6-8H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]D-Asp from human EAAT3 receptor expressed in HEK293 cells


J Med Chem 52: 912-5 (2009)


Article DOI: 10.1021/jm8013458
BindingDB Entry DOI: 10.7270/Q2PV6KCP
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50292989
PNG
(2-Amino-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chrom...)
Show SMILES N=C1OC2=C(CC1C#N)C(=O)CC(C2)c1ccccc1
Show InChI InChI=1S/C16H14N2O2/c17-9-12-6-13-14(19)7-11(8-15(13)20-16(12)18)10-4-2-1-3-5-10/h1-5,11-12,18H,6-8H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/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))
BDBM50292989
PNG
(2-Amino-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chrom...)
Show SMILES N=C1OC2=C(CC1C#N)C(=O)CC(C2)c1ccccc1
Show InChI InChI=1S/C16H14N2O2/c17-9-12-6-13-14(19)7-11(8-15(13)20-16(12)18)10-4-2-1-3-5-10/h1-5,11-12,18H,6-8H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/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
Excitatory amino acid transporter 2


(Homo sapiens (Human))
BDBM50292989
PNG
(2-Amino-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chrom...)
Show SMILES N=C1OC2=C(CC1C#N)C(=O)CC(C2)c1ccccc1
Show InChI InChI=1S/C16H14N2O2/c17-9-12-6-13-14(19)7-11(8-15(13)20-16(12)18)10-4-2-1-3-5-10/h1-5,11-12,18H,6-8H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]D-Asp from human EAAT2 receptor expressed in HEK293 cells


J Med Chem 52: 912-5 (2009)


Article DOI: 10.1021/jm8013458
BindingDB Entry DOI: 10.7270/Q2PV6KCP
More data for this
Ligand-Target Pair