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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50201538   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201538
PNG
(CHEMBL3891001)
Show SMILES COc1cc(ccc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
Show InChI InChI=1S/C23H17ClN4O/c1-29-18-11-15(9-10-17(18)24)22-20-19(13-7-8-13)16(12-25)21(26-23(20)28-27-22)14-5-3-2-4-6-14/h2-6,9-11,13H,7-8H2,1H3,(H,26,27,28)
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MMDB

KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 77n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-MethoxyPEPy from human mGlu5 receptor expressed in HEK293 cell membranes after 8 hrs by micro beta scintillation counting analys...


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50201538
PNG
(CHEMBL3891001)
Show SMILES COc1cc(ccc1Cl)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12
Show InChI InChI=1S/C23H17ClN4O/c1-29-18-11-15(9-10-17(18)24)22-20-19(13-7-8-13)16(12-25)21(26-23(20)28-27-22)14-5-3-2-4-6-14/h2-6,9-11,13H,7-8H2,1H3,(H,26,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [3H]-MethoxyPEPy from mGlu5 receptor in primary rat astrocytes after 8 hrs by micro beta scintillation counting analysis


ACS Med Chem Lett 7: 1082-1086 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00292
BindingDB Entry DOI: 10.7270/Q2BK1FBT
More data for this
Ligand-Target Pair