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BDBM50173685 5-[3-(2-Methyl-2H-[1,2,4]triazol-3-ylmethoxy)-phenyl]-3-phenyl-pyridazine::CHEMBL370718

SMILES: Cn1ncnc1COc1cccc(c1)-c1cnnc(c1)-c1ccccc1

InChI Key: InChIKey=PXCVVFWVLHUINV-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50173685   
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-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50173685
PNG
(5-[3-(2-Methyl-2H-[1,2,4]triazol-3-ylmethoxy)-phen...)
Show SMILES Cn1ncnc1COc1cccc(c1)-c1cnnc(c1)-c1ccccc1
Show InChI InChI=1S/C20H17N5O/c1-25-20(21-14-23-25)13-26-18-9-5-8-16(10-18)17-11-19(24-22-12-17)15-6-3-2-4-7-15/h2-12,14H,13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.5n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 expressed in mouse fibroblast ...


J Med Chem 48: 6004-11 (2005)


Article DOI: 10.1021/jm050249x
BindingDB Entry DOI: 10.7270/Q26H4GZH
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50173685
PNG
(5-[3-(2-Methyl-2H-[1,2,4]triazol-3-ylmethoxy)-phen...)
Show SMILES Cn1ncnc1COc1cccc(c1)-c1cnnc(c1)-c1ccccc1
Show InChI InChI=1S/C20H17N5O/c1-25-20(21-14-23-25)13-26-18-9-5-8-16(10-18)17-11-19(24-22-12-17)15-6-3-2-4-7-15/h2-12,14H,13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.80n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 expressed in mouse fibroblast ...


J Med Chem 48: 6004-11 (2005)


Article DOI: 10.1021/jm050249x
BindingDB Entry DOI: 10.7270/Q26H4GZH
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50173685
PNG
(5-[3-(2-Methyl-2H-[1,2,4]triazol-3-ylmethoxy)-phen...)
Show SMILES Cn1ncnc1COc1cccc(c1)-c1cnnc(c1)-c1ccccc1
Show InChI InChI=1S/C20H17N5O/c1-25-20(21-14-23-25)13-26-18-9-5-8-16(10-18)17-11-19(24-22-12-17)15-6-3-2-4-7-15/h2-12,14H,13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10.4n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 expressed in mouse fibroblast ...


J Med Chem 48: 6004-11 (2005)


Article DOI: 10.1021/jm050249x
BindingDB Entry DOI: 10.7270/Q26H4GZH
More data for this
Ligand-Target Pair