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BDBM50187622 (5-(4-cyanobenzoyl)imino-2-(4-cyanobenzoyl)-1,3-diphenyl-1,2-dihydropyrazole::CHEMBL207181

SMILES: O=C(\N=c1/cc(-c2ccccc2)n(C(=O)c2ccc(cc2)C#N)n1-c1ccccc1)c1ccc(cc1)C#N

InChI Key: InChIKey=YEWMBAYIACHSIH-RIHQVDFKSA-N

Data: 1 KI  1 EC50

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 2 hits for monomerid = 50187622   
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))
BDBM50187622
PNG
((5-(4-cyanobenzoyl)imino-2-(4-cyanobenzoyl)-1,3-di...)
Show SMILES O=C(\N=c1/cc(-c2ccccc2)n(C(=O)c2ccc(cc2)C#N)n1-c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C31H19N5O2/c32-20-22-11-15-25(16-12-22)30(37)34-29-19-28(24-7-3-1-4-8-24)36(35(29)27-9-5-2-6-10-27)31(38)26-17-13-23(21-33)14-18-26/h1-19H/b34-29+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.23E+3n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells


J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50187622
PNG
((5-(4-cyanobenzoyl)imino-2-(4-cyanobenzoyl)-1,3-di...)
Show SMILES O=C(\N=c1/cc(-c2ccccc2)n(C(=O)c2ccc(cc2)C#N)n1-c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C31H19N5O2/c32-20-22-11-15-25(16-12-22)30(37)34-29-19-28(24-7-3-1-4-8-24)36(35(29)27-9-5-2-6-10-27)31(38)26-17-13-23(21-33)14-18-26/h1-19H/b34-29+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 43n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes


J Med Chem 49: 3332-44 (2006)


Article DOI: 10.1021/jm051252j
BindingDB Entry DOI: 10.7270/Q2PR7VK1
More data for this
Ligand-Target Pair