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BDBM50052797 CHEMBL3322876

SMILES: CCc1cc(N)ncc1C(O)=O

InChI Key: InChIKey=NATMNENXSARREL-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50052797   
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
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052797
PNG
(CHEMBL3322876)
Show SMILES CCc1cc(N)ncc1C(O)=O
Show InChI InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50052797
PNG
(CHEMBL3322876)
Show SMILES CCc1cc(N)ncc1C(O)=O
Show InChI InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a<1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50052797
PNG
(CHEMBL3322876)
Show SMILES CCc1cc(N)ncc1C(O)=O
Show InChI InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052797
PNG
(CHEMBL3322876)
Show SMILES CCc1cc(N)ncc1C(O)=O
Show InChI InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a<1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair