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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50128250   
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
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50128250
PNG
(6,6-Dimethyl-1-thiazol-2-yl-3-(thiazol-2-ylsulfany...)
Show SMILES CC1(C)Cc2c(sc(Sc3nccs3)c2C(=O)C1)-c1nccs1
Show InChI InChI=1S/C16H14N2OS4/c1-16(2)7-9-11(10(19)8-16)14(23-15-18-4-6-21-15)22-12(9)13-17-3-5-20-13/h3-6H,7-8H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human GABA A alpha5-beta3-gamma2 receptor,using a [3H]-Ro- 15-1788 radioligand


J Med Chem 46: 2227-40 (2003)


Article DOI: 10.1021/jm020582q
BindingDB Entry DOI: 10.7270/Q2BK1BP2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50128250
PNG
(6,6-Dimethyl-1-thiazol-2-yl-3-(thiazol-2-ylsulfany...)
Show SMILES CC1(C)Cc2c(sc(Sc3nccs3)c2C(=O)C1)-c1nccs1
Show InChI InChI=1S/C16H14N2OS4/c1-16(2)7-9-11(10(19)8-16)14(23-15-18-4-6-21-15)22-12(9)13-17-3-5-20-13/h3-6H,7-8H2,1-2H3
UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human gamma-aminobutyric-acid A receptor alpha1beta3gamma2, determined using [3H]-Ro- 15-1788 radioligand


J Med Chem 46: 2227-40 (2003)


Article DOI: 10.1021/jm020582q
BindingDB Entry DOI: 10.7270/Q2BK1BP2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50128250
PNG
(6,6-Dimethyl-1-thiazol-2-yl-3-(thiazol-2-ylsulfany...)
Show SMILES CC1(C)Cc2c(sc(Sc3nccs3)c2C(=O)C1)-c1nccs1
Show InChI InChI=1S/C16H14N2OS4/c1-16(2)7-9-11(10(19)8-16)14(23-15-18-4-6-21-15)22-12(9)13-17-3-5-20-13/h3-6H,7-8H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
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Article
PubMed
28n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human gamma-amino butyric-acid A receptor alpha3beta3gamma2, using a [3H]-Ro- 15-1788 radioligand


J Med Chem 46: 2227-40 (2003)


Article DOI: 10.1021/jm020582q
BindingDB Entry DOI: 10.7270/Q2BK1BP2
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50128250
PNG
(6,6-Dimethyl-1-thiazol-2-yl-3-(thiazol-2-ylsulfany...)
Show SMILES CC1(C)Cc2c(sc(Sc3nccs3)c2C(=O)C1)-c1nccs1
Show InChI InChI=1S/C16H14N2OS4/c1-16(2)7-9-11(10(19)8-16)14(23-15-18-4-6-21-15)22-12(9)13-17-3-5-20-13/h3-6H,7-8H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
39n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human gamma-amino butyric-acid A receptor alpha2beta3gamma2, using a [3H]-Ro- 15-1788 radioligand


J Med Chem 46: 2227-40 (2003)


Article DOI: 10.1021/jm020582q
BindingDB Entry DOI: 10.7270/Q2BK1BP2
More data for this
Ligand-Target Pair