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BDBM50329477 (S)-N-(3-(4-(3-aminopropylamino)butylamino)propyl)-3-cyclohexyl-2-(2-(naphthalen-1-yl)acetamido)propanamide::CHEMBL1269126

SMILES: NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccc2ccccc12

InChI Key: InChIKey=BKXZRLFPGYWHTM-LJAQVGFWSA-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 = 50329477   
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


(Homo sapiens (Human))
BDBM50329477
PNG
((S)-N-(3-(4-(3-aminopropylamino)butylamino)propyl)...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C31H49N5O2/c32-17-9-20-33-18-6-7-19-34-21-10-22-35-31(38)29(23-25-11-2-1-3-12-25)36-30(37)24-27-15-8-14-26-13-4-5-16-28(26)27/h4-5,8,13-16,25,29,33-34H,1-3,6-7,9-12,17-24,32H2,(H,35,38)(H,36,37)/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 47n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at NR1-1a/NR2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current at -60mV ...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50329477
PNG
((S)-N-(3-(4-(3-aminopropylamino)butylamino)propyl)...)
Show SMILES NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C31H49N5O2/c32-17-9-20-33-18-6-7-19-34-21-10-22-35-31(38)29(23-25-11-2-1-3-12-25)36-30(37)24-27-15-8-14-26-13-4-5-16-28(26)27/h4-5,8,13-16,25,29,33-34H,1-3,6-7,9-12,17-24,32H2,(H,35,38)(H,36,37)/t29-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at GluR1 expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced current at -60mV holding potential by tw...


J Med Chem 53: 7441-51 (2010)


Article DOI: 10.1021/jm100886h
BindingDB Entry DOI: 10.7270/Q2125SX4
More data for this
Ligand-Target Pair