BindingDB logo
myBDB logout

BDBM50505145 CHEMBL4474892

SMILES: C[C@@H]1CN(CCN1C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1)c1ccc(F)c(F)c1

InChI Key: InChIKey=GXDPDPWEYNCDFS-LLVKDONJSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50505145   
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))
BDBM50505145
PNG
(CHEMBL4474892)
Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C20H18F2N4O4/c1-11-10-25(13-3-4-14(21)15(22)9-13)6-7-26(11)19(28)18(27)23-12-2-5-16-17(8-12)30-20(29)24-16/h2-5,8-9,11H,6-7,10H2,1H3,(H,23,27)(H,24,29)/t11-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/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)
BDBM50505145
PNG
(CHEMBL4474892)
Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C20H18F2N4O4/c1-11-10-25(13-3-4-14(21)15(22)9-13)6-7-26(11)19(28)18(27)23-12-2-5-16-17(8-12)30-20(29)24-16/h2-5,8-9,11H,6-7,10H2,1H3,(H,23,27)(H,24,29)/t11-/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