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BDBM50425994 CHEMBL2314716

SMILES: [#7]-[#6@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1

InChI Key: InChIKey=XHXWNLOWNLQCBY-UIYJTSPENA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50425994   
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 [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50425994
PNG
(CHEMBL2314716)
Show SMILES N[C@H](CCN=C(N)N)C(=O)NCCCCCCCCNCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1
Show InChI InChI=1/C29H51N9O5/c30-23(13-18-37-29(32)33)27(42)35-16-6-4-2-1-3-5-14-34-15-7-8-17-36-28(43)24(20-25(31)40)38-26(41)19-21-9-11-22(39)12-10-21/h9-12,23-24,34,39H,1-8,13-20,30H2,(H2,31,40)(H,35,42)(H,36,43)(H,38,41)(H4,32,33,37)/t23-,24+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.32E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat GluN1/2A receptor expressed in Xenopus laevis oocyte assessed as glutamate and glycine-induced current at holding potentials from -...


J Med Chem 56: 1171-81 (2013)


Article DOI: 10.1021/jm301602d
BindingDB Entry DOI: 10.7270/Q2S46T9C
More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50425994
PNG
(CHEMBL2314716)
Show SMILES N[C@H](CCN=C(N)N)C(=O)NCCCCCCCCNCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1
Show InChI InChI=1/C29H51N9O5/c30-23(13-18-37-29(32)33)27(42)35-16-6-4-2-1-3-5-14-34-15-7-8-17-36-28(43)24(20-25(31)40)38-26(41)19-21-9-11-22(39)12-10-21/h9-12,23-24,34,39H,1-8,13-20,30H2,(H2,31,40)(H,35,42)(H,36,43)(H,38,41)(H4,32,33,37)/t23-,24+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 84n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rat GluA1 receptor flip form expressed in Xenopus laevis oocyte assessed as glutamate-induced current at holding potentials from -80 to...


J Med Chem 56: 1171-81 (2013)


Article DOI: 10.1021/jm301602d
BindingDB Entry DOI: 10.7270/Q2S46T9C
More data for this
Ligand-Target Pair