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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscle-type nicotinic acetylcholine receptor' and Ligand = 'BDBM50111636'   
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
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50111636
PNG
(CHEMBL16259 | N-[(S)-1-(8-Amino-octylcarbamoyl)-2-...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCN
Show InChI InChI=1S/C21H35N3O3/c1-2-9-20(26)24-19(16-17-10-12-18(25)13-11-17)21(27)23-15-8-6-4-3-5-7-14-22/h10-13,19,25H,2-9,14-16,22H2,1H3,(H,23,27)(H,24,26)/t19-/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.03E+3n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)


BindingDB Entry DOI: 10.7270/Q2BC3XWG
More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50111636
PNG
(CHEMBL16259 | N-[(S)-1-(8-Amino-octylcarbamoyl)-2-...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCN
Show InChI InChI=1S/C21H35N3O3/c1-2-9-20(26)24-19(16-17-10-12-18(25)13-11-17)21(27)23-15-8-6-4-3-5-7-14-22/h10-13,19,25H,2-9,14-16,22H2,1H3,(H,23,27)(H,24,26)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 9.76E+3n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)


BindingDB Entry DOI: 10.7270/Q2BC3XWG
More data for this
Ligand-Target Pair