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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM107262'   
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))
BDBM107262
PNG
(US8598345, 204 | US8598345, Table 1-48/2-8)
Show SMILES Cc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Show InChI InChI=1S/C16H13N5O2/c1-11-3-2-4-15(20-11)21-16(22)14-7-12(5-6-19-14)23-13-8-17-10-18-9-13/h2-10H,1H3,(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 47n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107262
PNG
(US8598345, 204 | US8598345, Table 1-48/2-8)
Show SMILES Cc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Show InChI InChI=1S/C16H13N5O2/c1-11-3-2-4-15(20-11)21-16(22)14-7-12(5-6-19-14)23-13-8-17-10-18-9-13/h2-10H,1H3,(H,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 56n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair