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BDBM50244193 4-bromo-3,5-dimethyl-1-((4-(3-nitrophenyl)thiazol-2-yl)methyl)-1H-pyrazole::CHEMBL461924

SMILES: Cc1nn(Cc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)c(C)c1Br

InChI Key: InChIKey=BDLSZVUMZCCCHF-UHFFFAOYSA-N

Data: 2 IC50

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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 2 hits for monomerid = 50244193   
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-5


(Homo sapiens (Human))
BDBM50244193
PNG
(4-bromo-3,5-dimethyl-1-((4-(3-nitrophenyl)thiazol-...)
Show SMILES Cc1nn(Cc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)c(C)c1Br
Show InChI InChI=1S/C15H13BrN4O2S/c1-9-15(16)10(2)19(18-9)7-14-17-13(8-23-14)11-4-3-5-12(6-11)20(21)22/h3-6,8H,7H2,1-2H3
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-4513 from GABAA alpha-5-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system


J Med Chem 51: 3788-803 (2008)


Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50244193
PNG
(4-bromo-3,5-dimethyl-1-((4-(3-nitrophenyl)thiazol-...)
Show SMILES Cc1nn(Cc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)c(C)c1Br
Show InChI InChI=1S/C15H13BrN4O2S/c1-9-15(16)10(2)19(18-9)7-14-17-13(8-23-14)11-4-3-5-12(6-11)20(21)22/h3-6,8H,7H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system


J Med Chem 51: 3788-803 (2008)


Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6
More data for this
Ligand-Target Pair