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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50170594   
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
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))
BDBM50170594
PNG
((16R)-9,33-dihydroxy-10,25-dimethoxy-15,15,30-trim...)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4cccc(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4O
Show InChI InChI=1S/C37H40N2O6/c1-38-15-13-23-19-31(42-4)32-21-27(23)28(38)17-22-9-11-26(12-10-22)44-37-34-24(20-33(43-5)36(37)41)14-16-39(2,3)29(34)18-25-7-6-8-30(45-32)35(25)40/h6-12,19-21,28-29H,13-18H2,1-5H3,(H-,40,41)/p+1/t28?,29-/m1/s1
PDB

UniProtKB/SwissProt

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Article
PubMed
n/an/a 230n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4


(Homo sapiens (Human))
BDBM50170594
PNG
((16R)-9,33-dihydroxy-10,25-dimethoxy-15,15,30-trim...)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4cccc(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4O
Show InChI InChI=1S/C37H40N2O6/c1-38-15-13-23-19-31(42-4)32-21-27(23)28(38)17-22-9-11-26(12-10-22)44-37-34-24(20-33(43-5)36(37)41)14-16-39(2,3)29(34)18-25-7-6-8-30(45-32)35(25)40/h6-12,19-21,28-29H,13-18H2,1-5H3,(H-,40,41)/p+1/t28?,29-/m1/s1
PDB

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antibodypedia
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Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta4


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4


(Homo sapiens (Human))
BDBM50170594
PNG
((16R)-9,33-dihydroxy-10,25-dimethoxy-15,15,30-trim...)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4cccc(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4O
Show InChI InChI=1S/C37H40N2O6/c1-38-15-13-23-19-31(42-4)32-21-27(23)28(38)17-22-9-11-26(12-10-22)44-37-34-24(20-33(43-5)36(37)41)14-16-39(2,3)29(34)18-25-7-6-8-30(45-32)35(25)40/h6-12,19-21,28-29H,13-18H2,1-5H3,(H-,40,41)/p+1/t28?,29-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
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Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta4


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))
BDBM50170594
PNG
((16R)-9,33-dihydroxy-10,25-dimethoxy-15,15,30-trim...)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4cccc(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4O
Show InChI InChI=1S/C37H40N2O6/c1-38-15-13-23-19-31(42-4)32-21-27(23)28(38)17-22-9-11-26(12-10-22)44-37-34-24(20-33(43-5)36(37)41)14-16-39(2,3)29(34)18-25-7-6-8-30(45-32)35(25)40/h6-12,19-21,28-29H,13-18H2,1-5H3,(H-,40,41)/p+1/t28?,29-/m1/s1
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2 expressed in xenopus oocytes


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50170594
PNG
((16R)-9,33-dihydroxy-10,25-dimethoxy-15,15,30-trim...)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4cccc(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4O
Show InChI InChI=1S/C37H40N2O6/c1-38-15-13-23-19-31(42-4)32-21-27(23)28(38)17-22-9-11-26(12-10-22)44-37-34-24(20-33(43-5)36(37)41)14-16-39(2,3)29(34)18-25-7-6-8-30(45-32)35(25)40/h6-12,19-21,28-29H,13-18H2,1-5H3,(H-,40,41)/p+1/t28?,29-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.47E+4n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha 7


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair