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BDBM50505126 CHEMBL4442519

SMILES: C[C@@H]1CN(CCN1c1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1

InChI Key: InChIKey=JRUXUDTVKCKVFG-GFCCVEGCSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50505126   
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
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50505126
PNG
(CHEMBL4442519)
Show SMILES C[C@@H]1CN(CCN1c1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1 |r|
Show InChI InChI=1S/C20H19ClN4O4/c1-12-11-24(8-9-25(12)15-5-2-13(21)3-6-15)19(27)18(26)22-14-4-7-16-17(10-14)29-20(28)23-16/h2-7,10,12H,8-9,11H2,1H3,(H,22,26)(H,23,28)/t12-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/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
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA1/2B


(Mus musculus)
BDBM50505126
PNG
(CHEMBL4442519)
Show SMILES C[C@@H]1CN(CCN1c1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1 |r|
Show InChI InChI=1S/C20H19ClN4O4/c1-12-11-24(8-9-25(12)15-5-2-13(21)3-6-15)19(27)18(26)22-14-4-7-16-17(10-14)29-20(28)23-16/h2-7,10,12H,8-9,11H2,1H3,(H,22,26)(H,23,28)/t12-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.30n/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
More data for this
Ligand-Target Pair