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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GRIA1' and Ligand = 'BDBM50122085'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GRIA1


(Homo sapiens (Human))
BDBM50122085
PNG
(CHEMBL152425 | N-[1-[8-(3-Amino-propylamino)-octyl...)
Show SMILES NCCCNCCCCCCCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccnc1
Show InChI InChI=1/C26H39N5O3/c27-14-8-17-28-15-5-3-1-2-4-6-18-30-26(34)24(19-21-10-12-23(32)13-11-21)31-25(33)22-9-7-16-29-20-22/h7,9-13,16,20,24,28,32H,1-6,8,14-15,17-19,27H2,(H,30,34)(H,31,33)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
88n/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))
BDBM50122085
PNG
(CHEMBL152425 | N-[1-[8-(3-Amino-propylamino)-octyl...)
Show SMILES NCCCNCCCCCCCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccnc1
Show InChI InChI=1/C26H39N5O3/c27-14-8-17-28-15-5-3-1-2-4-6-18-30-26(34)24(19-21-10-12-23(32)13-11-21)31-25(33)22-9-7-16-29-20-22/h7,9-13,16,20,24,28,32H,1-6,8,14-15,17-19,27H2,(H,30,34)(H,31,33)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
210n/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