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BDBM50122096 CHEMBL152410::Hexanoic acid [1-[8-(3-amino-propylamino)-octylcarbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-amide

SMILES: CCCCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCCCCCCNCCCN

InChI Key: InChIKey=RMPOMJNWSMWXRV-UHFFFAOYSA-N

Data: 2 KI

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 = 50122096   
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
GRIA1


(Homo sapiens (Human))
BDBM50122096
PNG
(CHEMBL152410 | Hexanoic acid [1-[8-(3-amino-propyl...)
Show SMILES CCCCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCCCCCCNCCCN
Show InChI InChI=1S/C26H46N4O3/c1-2-3-8-12-25(32)30-24(21-22-13-15-23(31)16-14-22)26(33)29-20-10-7-5-4-6-9-18-28-19-11-17-27/h13-16,24,28,31H,2-12,17-21,27H2,1H3,(H,29,33)(H,30,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
68n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of the (-80 mV) current elicited by 100 microM glutamate by simultaneous co-application in xenopus oocytes injected with GluR1 flop RNA.


J Med Chem 45: 5745-54 (2002)


Article DOI: 10.1021/jm020314s
BindingDB Entry DOI: 10.7270/Q2BP025P
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50122096
PNG
(CHEMBL152410 | Hexanoic acid [1-[8-(3-amino-propyl...)
Show SMILES CCCCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCCCCCCNCCCN
Show InChI InChI=1S/C26H46N4O3/c1-2-3-8-12-25(32)30-24(21-22-13-15-23(31)16-14-22)26(33)29-20-10-7-5-4-6-9-18-28-19-11-17-27/h13-16,24,28,31H,2-12,17-21,27H2,1H3,(H,29,33)(H,30,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of the (-40 mV) current elicited by 100 microM glutamate by simultaneous co-application in xenopus oocytes injected with GluR1 flop RNA.


J Med Chem 45: 5745-54 (2002)


Article DOI: 10.1021/jm020314s
BindingDB Entry DOI: 10.7270/Q2BP025P
More data for this
Ligand-Target Pair