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BDBM50122086 CHEMBL269192::N-[1-[8-(3-Amino-propylamino)-octylcarbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-2,2-dimethyl-propionamide

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

InChI Key: InChIKey=FHUQJXVVSIBATN-UHFFFAOYSA-N

Data: 2 KI

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 = 50122086   
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))
BDBM50122086
PNG
(CHEMBL269192 | N-[1-[8-(3-Amino-propylamino)-octyl...)
Show SMILES CC(C)(C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCCCCCCNCCCN
Show InChI InChI=1S/C25H44N4O3/c1-25(2,3)24(32)29-22(19-20-11-13-21(30)14-12-20)23(31)28-18-9-7-5-4-6-8-16-27-17-10-15-26/h11-14,22,27,30H,4-10,15-19,26H2,1-3H3,(H,28,31)(H,29,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
90n/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))
BDBM50122086
PNG
(CHEMBL269192 | N-[1-[8-(3-Amino-propylamino)-octyl...)
Show SMILES CC(C)(C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCCCCCCNCCCN
Show InChI InChI=1S/C25H44N4O3/c1-25(2,3)24(32)29-22(19-20-11-13-21(30)14-12-20)23(31)28-18-9-7-5-4-6-8-16-27-17-10-15-26/h11-14,22,27,30H,4-10,15-19,26H2,1-3H3,(H,28,31)(H,29,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
140n/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