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BDBM50457445 CHEMBL4212818

SMILES: Clc1ccc(cc1)C(=O)Nc1c(nc2ccccn12)-c1cccs1

InChI Key: InChIKey=AZKMWHRDICVYEI-UHFFFAOYSA-N

Data: 4 EC50

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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 4 hits for monomerid = 50457445   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/delta


(Rattus norvegicus (Rat))
BDBM50457445
PNG
(CHEMBL4212818)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2ccccn12)-c1cccs1
Show InChI InChI=1S/C18H12ClN3OS/c19-13-8-6-12(7-9-13)18(23)21-17-16(14-4-3-11-24-14)20-15-5-1-2-10-22(15)17/h1-11H,(H,21,23)
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PC sid
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Article
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n/an/an/an/a 860n/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha1beta3delta expressed in HEK293 cells in presence of GABA by patch-clamp assay


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/delta


(Rattus norvegicus (Rat)-RAT)
BDBM50457445
PNG
(CHEMBL4212818)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2ccccn12)-c1cccs1
Show InChI InChI=1S/C18H12ClN3OS/c19-13-8-6-12(7-9-13)18(23)21-17-16(14-4-3-11-24-14)20-15-5-1-2-10-22(15)17/h1-11H,(H,21,23)
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UniChem
Article
PubMed
n/an/an/an/a 2.29E+3n/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha6beta3delta expressed in HEK293 cells in presence of GABA by patch-clamp assay


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3


(RAT-Rattus norvegicus)
BDBM50457445
PNG
(CHEMBL4212818)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2ccccn12)-c1cccs1
Show InChI InChI=1S/C18H12ClN3OS/c19-13-8-6-12(7-9-13)18(23)21-17-16(14-4-3-11-24-14)20-15-5-1-2-10-22(15)17/h1-11H,(H,21,23)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.44E+3n/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha6beta3 expressed in HEK293 cells in presence of GABA by patch-clamp assay


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta


(Rattus norvegicus (Rat))
BDBM50457445
PNG
(CHEMBL4212818)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2ccccn12)-c1cccs1
Show InChI InChI=1S/C18H12ClN3OS/c19-13-8-6-12(7-9-13)18(23)21-17-16(14-4-3-11-24-14)20-15-5-1-2-10-22(15)17/h1-11H,(H,21,23)
PDB

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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 970n/an/an/an/a



Johannes Gutenberg University Mainz

Curated by ChEMBL


Assay Description
Modulation of rat eGFP-fused GABA-A receptor alpha4beta3delta expressed in HEK293 cells in presence of GABA by patch-clamp assay


J Med Chem 61: 1951-1968 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01484
BindingDB Entry DOI: 10.7270/Q2P271Q0
More data for this
Ligand-Target Pair