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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50588336
PNG
(CHEMBL5186739)
Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1)c1cccs1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
88n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50588339
PNG
(CHEMBL5187612)
Show SMILES Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
195n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50588337
PNG
(CHEMBL5177970)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
1.03E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50588340
PNG
(CHEMBL5204910)
Show SMILES Cc1ccc(cc1)C(=O)N1CCC2(CCNCC2)CC1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.28E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50588339
PNG
(CHEMBL5187612)
Show SMILES Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 182n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50588336
PNG
(CHEMBL5186739)
Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1)c1cccs1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50588337
PNG
(CHEMBL5177970)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50588340
PNG
(CHEMBL5204910)
Show SMILES Cc1ccc(cc1)C(=O)N1CCC2(CCNCC2)CC1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50587077
PNG
(CHEMBL5069550)
Show SMILES Fc1ccc2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)n2c1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.92E+3n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human recombinant alpha4beta1delta GABAA receptor expressed in delta-HEK cells assessed as potentiation of GABA-ind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02163
BindingDB Entry DOI: 10.7270/Q2VX0MFZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50587078
PNG
(CHEMBL5088746)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2ccc(Cl)cn12)-c1cccs1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 140n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human recombinant alpha4beta1delta GABAA receptor expressed in delta-HEK cells assessed as potentiation of GABA-ind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02163
BindingDB Entry DOI: 10.7270/Q2VX0MFZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
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

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 980n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human recombinant alpha4beta1delta GABAA receptor expressed in delta-HEK cells assessed as potentiation of GABA-ind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02163
BindingDB Entry DOI: 10.7270/Q2VX0MFZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50587076
PNG
(CHEMBL5090382)
Show SMILES FC(F)(F)c1ccc2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)n2c1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human recombinant alpha4beta1delta GABAA receptor expressed in delta-HEK cells assessed as potentiation of GABA-ind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02163
BindingDB Entry DOI: 10.7270/Q2VX0MFZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50587079
PNG
(CHEMBL5072077)
Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2ccc(Br)cn12)-c1cccs1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 60n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human recombinant alpha4beta1delta GABAA receptor expressed in delta-HEK cells assessed as potentiation of GABA-ind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02163
BindingDB Entry DOI: 10.7270/Q2VX0MFZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50587075
PNG
(CHEMBL5081682)
Show SMILES Cc1ccc2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)n2c1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 160n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of human recombinant alpha4beta1delta GABAA receptor expressed in delta-HEK cells assessed as potentiation of GABA-ind...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02163
BindingDB Entry DOI: 10.7270/Q2VX0MFZ
More data for this
Ligand-Target Pair