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BDBM50143127 3-(4-Fluoro-phenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine::CHEMBL292462

SMILES: Fc1ccc(cc1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12

InChI Key: InChIKey=OKGJPMZATLJSGV-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50143127   
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-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143127
PNG
(3-(4-Fluoro-phenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4...)
Show SMILES Fc1ccc(cc1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C21H14FN5O/c22-15-10-8-14(9-11-15)19-24-25-20-17-6-1-2-7-18(17)21(26-27(19)20)28-13-16-5-3-4-12-23-16/h1-12H,13H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143127
PNG
(3-(4-Fluoro-phenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4...)
Show SMILES Fc1ccc(cc1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C21H14FN5O/c22-15-10-8-14(9-11-15)19-24-25-20-17-6-1-2-7-18(17)21(26-27(19)20)28-13-16-5-3-4-12-23-16/h1-12H,13H2
PDB

UniProtKB/SwissProt

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PC sid
UniChem
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2.40n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha3-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143127
PNG
(3-(4-Fluoro-phenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4...)
Show SMILES Fc1ccc(cc1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C21H14FN5O/c22-15-10-8-14(9-11-15)19-24-25-20-17-6-1-2-7-18(17)21(26-27(19)20)28-13-16-5-3-4-12-23-16/h1-12H,13H2
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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Article
PubMed
3.70n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha2-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143127
PNG
(3-(4-Fluoro-phenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4...)
Show SMILES Fc1ccc(cc1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C21H14FN5O/c22-15-10-8-14(9-11-15)19-24-25-20-17-6-1-2-7-18(17)21(26-27(19)20)28-13-16-5-3-4-12-23-16/h1-12H,13H2
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PubMed
3.90n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha4-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair