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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholine receptor subunit alpha/beta/delta/gamma' and Ligand = 'BDBM50094299'   
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
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50094299
PNG
(CHEMBL15998 | N-[(S)-1-(12-Amino-dodecylcarbamoyl)...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCCCCN
Show InChI InChI=1S/C25H43N3O3/c1-2-13-24(30)28-23(20-21-14-16-22(29)17-15-21)25(31)27-19-12-10-8-6-4-3-5-7-9-11-18-26/h14-17,23,29H,2-13,18-20,26H2,1H3,(H,27,31)(H,28,30)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 790n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity at human muscle-type nAChR (embryonic muscle) expressed in TE671 cells; (end value).


J Med Chem 43: 4526-33 (2000)


Article DOI: 10.1021/jm000220n
BindingDB Entry DOI: 10.7270/Q2F192F2
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50094299
PNG
(CHEMBL15998 | N-[(S)-1-(12-Amino-dodecylcarbamoyl)...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCCCCN
Show InChI InChI=1S/C25H43N3O3/c1-2-13-24(30)28-23(20-21-14-16-22(29)17-15-21)25(31)27-19-12-10-8-6-4-3-5-7-9-11-18-26/h14-17,23,29H,2-13,18-20,26H2,1H3,(H,27,31)(H,28,30)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.51E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity at human muscle-type nAChR (embryonic muscle) expressed in TE671 cells; (peak value).


J Med Chem 43: 4526-33 (2000)


Article DOI: 10.1021/jm000220n
BindingDB Entry DOI: 10.7270/Q2F192F2
More data for this
Ligand-Target Pair