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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glutamate receptor ionotropic, NMDA 2B' and Ligand = 'BDBM50505135'   
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
Glutamate receptor ionotropic, NMDA 2B


(Mus musculus)
BDBM50505135
PNG
(CHEMBL4453597)
Show SMILES O[C@@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(cc2)C(F)(F)F)CC1 |r,wU:15.17,1.1,(40.37,-25.74,;40.37,-27.28,;39.04,-26.5,;37.71,-27.27,;36.3,-26.63,;35.27,-27.77,;36.03,-29.11,;37.54,-28.8,;33.73,-27.77,;32.81,-26.51,;31.35,-26.98,;31.34,-28.53,;32.81,-29.01,;40.37,-28.82,;41.7,-29.6,;43.03,-28.84,;44.36,-29.61,;45.7,-28.84,;45.7,-27.29,;47.03,-26.52,;48.36,-27.29,;48.37,-28.84,;47.03,-29.61,;49.69,-26.51,;51.03,-27.28,;49.69,-24.97,;51.02,-25.73,;43.04,-27.29,;41.71,-26.52,)|
Show InChI InChI=1S/C21H22F3N3O2/c22-21(23,24)17-3-1-14(2-4-17)9-15-5-7-20(28,8-6-15)11-18-10-19(29-27-18)16-12-25-26-13-16/h1-4,10,12-13,15,28H,5-9,11H2,(H,25,26)/t15-,20-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressing NR1 subunit assessed as reduction in glutamic acid/glycine-induced...


Bioorg Med Chem Lett 29: 1143-1147 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.017
BindingDB Entry DOI: 10.7270/Q2P55RSV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50505135
PNG
(CHEMBL4453597)
Show SMILES O[C@@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccc(cc2)C(F)(F)F)CC1 |r,wU:15.17,1.1,(40.37,-25.74,;40.37,-27.28,;39.04,-26.5,;37.71,-27.27,;36.3,-26.63,;35.27,-27.77,;36.03,-29.11,;37.54,-28.8,;33.73,-27.77,;32.81,-26.51,;31.35,-26.98,;31.34,-28.53,;32.81,-29.01,;40.37,-28.82,;41.7,-29.6,;43.03,-28.84,;44.36,-29.61,;45.7,-28.84,;45.7,-27.29,;47.03,-26.52,;48.36,-27.29,;48.37,-28.84,;47.03,-29.61,;49.69,-26.51,;51.03,-27.28,;49.69,-24.97,;51.02,-25.73,;43.04,-27.29,;41.71,-26.52,)|
Show InChI InChI=1S/C21H22F3N3O2/c22-21(23,24)17-3-1-14(2-4-17)9-15-5-7-20(28,8-6-15)11-18-10-19(29-27-18)16-12-25-26-13-16/h1-4,10,12-13,15,28H,5-9,11H2,(H,25,26)/t15-,20-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-ifenprodil from NR2B receptor in rat brain cerebral cortex membranes incubated for 120 mins by liquid scintillation counting met...


Bioorg Med Chem Lett 29: 1143-1147 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.017
BindingDB Entry DOI: 10.7270/Q2P55RSV
More data for this
Ligand-Target Pair