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BDBM50185513 7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(thiophen-3-yl)pyrazolo[1,5-d][1,2,4]triazine::CHEMBL378761

SMILES: Cn1ncnc1COc1nn2c(nncc2c1-c1ccsc1)-c1ccccc1F

InChI Key: InChIKey=JWODBROOGAIDRT-UHFFFAOYSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50185513   
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
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50185513
PNG
(7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3...)
Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1ccsc1)-c1ccccc1F
Show InChI InChI=1S/C19H14FN7OS/c1-26-16(21-11-23-26)9-28-19-17(12-6-7-29-10-12)15-8-22-24-18(27(15)25-19)13-4-2-3-5-14(13)20/h2-8,10-11H,9H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta3gamma2 receptor expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 3550-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.081
BindingDB Entry DOI: 10.7270/Q21J99CH
More data for this
Ligand-Target Pair