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BDBM50187642 CHEMBL378559::N-cyclopentanecarboxyl-1,3-diphenyl-5-amino-1H-pyrazole

SMILES: O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)C1CCCC1

InChI Key: InChIKey=LJDIFWDVXAVJKC-UHFFFAOYSA-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 = 50187642   
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))
BDBM50187642
PNG
(CHEMBL378559 | N-cyclopentanecarboxyl-1,3-diphenyl...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)C1CCCC1
Show InChI InChI=1S/C21H21N3O/c25-21(17-11-7-8-12-17)22-20-15-19(16-9-3-1-4-10-16)23-24(20)18-13-5-2-6-14-18/h1-6,9-10,13-15,17H,7-8,11-12H2,(H,22,25)
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.16E+4n/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))
BDBM50187642
PNG
(CHEMBL378559 | N-cyclopentanecarboxyl-1,3-diphenyl...)
Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)C1CCCC1
Show InChI InChI=1S/C21H21N3O/c25-21(17-11-7-8-12-17)22-20-15-19(16-9-3-1-4-10-16)23-24(20)18-13-5-2-6-14-18/h1-6,9-10,13-15,17H,7-8,11-12H2,(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.41E+3n/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