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1 similar compounds to monomer 50172127

Compile data set for download or QSAR
Wt: 275.3
BDBM50172125

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50172125   
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
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50172125
PNG
(CHEMBL194407 | Pyridin-3-yl-(4-pyridin-2-ylethynyl...)
Show SMILES C1CC(=CCC1Nc1cccnc1)C#Cc1ccccn1
Show InChI InChI=1/C18H17N3/c1-2-13-20-16(4-1)9-6-15-7-10-17(11-8-15)21-18-5-3-12-19-14-18/h1-5,7,12-14,17,21H,8,10-11H2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
35n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane


Bioorg Med Chem Lett 15: 4589-93 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.099
BindingDB Entry DOI: 10.7270/Q2DB81C5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50172125
PNG
(CHEMBL194407 | Pyridin-3-yl-(4-pyridin-2-ylethynyl...)
Show SMILES C1CC(=CCC1Nc1cccnc1)C#Cc1ccccn1
Show InChI InChI=1/C18H17N3/c1-2-13-20-16(4-1)9-6-15-7-10-17(11-8-15)21-18-5-3-12-19-14-18/h1-5,7,12-14,17,21H,8,10-11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12.6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Ca+2 flux mediated by human mGlu5 receptor expressed in Ltk cells using fura-2 dye


Bioorg Med Chem Lett 15: 4589-93 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.099
BindingDB Entry DOI: 10.7270/Q2DB81C5
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50172125
PNG
(CHEMBL194407 | Pyridin-3-yl-(4-pyridin-2-ylethynyl...)
Show SMILES C1CC(=CCC1Nc1cccnc1)C#Cc1ccccn1
Show InChI InChI=1/C18H17N3/c1-2-13-20-16(4-1)9-6-15-7-10-17(11-8-15)21-18-5-3-12-19-14-18/h1-5,7,12-14,17,21H,8,10-11H2
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against CYP1A2 using recombinant CYP450 under Gentest-based protocol


Bioorg Med Chem Lett 15: 4589-93 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.099
BindingDB Entry DOI: 10.7270/Q2DB81C5
More data for this
Ligand-Target Pair