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BDBM85207 CAS_123990::NSC_123990::Suberyldicholine

SMILES: C[N+](C)(C)CCOC(=O)CCCCCCC(=O)OCC[N+](C)(C)C

InChI Key: InChIKey=FUORNAZLBFNKKX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 85207   
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
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM85207
PNG
(CAS_123990 | NSC_123990 | Suberyldicholine)
Show SMILES C[N+](C)(C)CCOC(=O)CCCCCCC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C18H38N2O4/c1-19(2,3)13-15-23-17(21)11-9-7-8-10-12-18(22)24-16-14-20(4,5)6/h7-16H2,1-6H3/q+2
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Article
PubMed
13n/an/an/an/an/an/an/an/a



Barrow Neurological Institute

Curated by PDSP Ki Database




Mol Pharmacol 64: 1283-94 (2003)


Article DOI: 10.1124/mol.64.6.1283
BindingDB Entry DOI: 10.7270/Q2GF0S2V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM85207
PNG
(CAS_123990 | NSC_123990 | Suberyldicholine)
Show SMILES C[N+](C)(C)CCOC(=O)CCCCCCC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C18H38N2O4/c1-19(2,3)13-15-23-17(21)11-9-7-8-10-12-18(22)24-16-14-20(4,5)6/h7-16H2,1-6H3/q+2
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KEGG

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antibodypedia
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PubMed
1.12E+3n/an/an/an/an/an/an/an/a



SIBIA Neurosciences, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 284: 777-89 (1998)


BindingDB Entry DOI: 10.7270/Q28G8J7Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta2


(Homo sapiens (Human))
BDBM85207
PNG
(CAS_123990 | NSC_123990 | Suberyldicholine)
Show SMILES C[N+](C)(C)CCOC(=O)CCCCCCC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C18H38N2O4/c1-19(2,3)13-15-23-17(21)11-9-7-8-10-12-18(22)24-16-14-20(4,5)6/h7-16H2,1-6H3/q+2
PDB

Reactome pathway
KEGG

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antibodypedia
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KEGG
PC cid
PC sid
UniChem

Patents


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PubMed
8.75E+3n/an/an/an/an/an/an/an/a



SIBIA Neurosciences, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 284: 777-89 (1998)


BindingDB Entry DOI: 10.7270/Q28G8J7Q
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM85207
PNG
(CAS_123990 | NSC_123990 | Suberyldicholine)
Show SMILES C[N+](C)(C)CCOC(=O)CCCCCCC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C18H38N2O4/c1-19(2,3)13-15-23-17(21)11-9-7-8-10-12-18(22)24-16-14-20(4,5)6/h7-16H2,1-6H3/q+2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



SIBIA Neurosciences, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 284: 777-89 (1998)


BindingDB Entry DOI: 10.7270/Q28G8J7Q
More data for this
Ligand-Target Pair