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BDBM50143088 3-Phenyl-6-(pyrimidin-4-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine::CHEMBL292380

SMILES: C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccncn1

InChI Key: InChIKey=HOQUSTXYXSUJDG-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 = 50143088   
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))
BDBM50143088
PNG
(3-Phenyl-6-(pyrimidin-4-ylmethoxy)-[1,2,4]triazolo...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccncn1
Show InChI InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-12-15-10-11-21-13-22-15/h1-11,13H,12H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.5n/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))
BDBM50143088
PNG
(3-Phenyl-6-(pyrimidin-4-ylmethoxy)-[1,2,4]triazolo...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccncn1
Show InChI InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-12-15-10-11-21-13-22-15/h1-11,13H,12H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/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-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143088
PNG
(3-Phenyl-6-(pyrimidin-4-ylmethoxy)-[1,2,4]triazolo...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccncn1
Show InChI InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-12-15-10-11-21-13-22-15/h1-11,13H,12H2
PDB

UniProtKB/SwissProt

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CHEMBL
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UniChem
Article
PubMed
2.30n/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
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143088
PNG
(3-Phenyl-6-(pyrimidin-4-ylmethoxy)-[1,2,4]triazolo...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccncn1
Show InChI InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-12-15-10-11-21-13-22-15/h1-11,13H,12H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.90n/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 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