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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Isoform 1 of Metabotropic glutamate receptor 5 (5a)' and Ligand = 'BDBM174212'   
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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))
BDBM174212
PNG
(US9688669, Example 57 | US9688669, Example 58 | US...)
Show SMILES OC(C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)C1CC1 |r|
Show InChI InChI=1S/C20H17FN2O3/c21-16-3-1-2-14(9-16)19-18(23-20(25)26-19)15-8-12(10-22-11-15)4-7-17(24)13-5-6-13/h1-3,8-11,13,17-19,24H,5-6H2,(H,23,25)/t17?,18-,19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 77n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))
BDBM174212
PNG
(US9688669, Example 57 | US9688669, Example 58 | US...)
Show SMILES OC(C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)C1CC1 |r|
Show InChI InChI=1S/C20H17FN2O3/c21-16-3-1-2-14(9-16)19-18(23-20(25)26-19)15-8-12(10-22-11-15)4-7-17(24)13-5-6-13/h1-3,8-11,13,17-19,24H,5-6H2,(H,23,25)/t17?,18-,19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 226n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))
BDBM174212
PNG
(US9688669, Example 57 | US9688669, Example 58 | US...)
Show SMILES OC(C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)C1CC1 |r|
Show InChI InChI=1S/C20H17FN2O3/c21-16-3-1-2-14(9-16)19-18(23-20(25)26-19)15-8-12(10-22-11-15)4-7-17(24)13-5-6-13/h1-3,8-11,13,17-19,24H,5-6H2,(H,23,25)/t17?,18-,19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 204n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair