BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2161 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor'   
Target
(Institution)
LigandTarget
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


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 1.65n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method


Bioorg Med Chem Lett 19: 4747-51 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50454430
PNG
(NUDICAULINE | Nudicauline)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC(C)=O)C5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)C23)C14
Show InChI InChI=1S/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(48-5)37-23-15-22-25(47-4)16-36(45,28(23)29(22)51-20(3)41)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19-,22+,23?,25-,26-,28?,29-,30?,31-,34?,35-,36+,37-,38+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



School of Pharmacy and Pharmacology

Curated by ChEMBL


Assay Description
Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor


J Med Chem 39: 4860-6 (1997)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50143313
PNG
((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3.66n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Blockade of Nicotinic acetylcholine receptor alpha4-beta2


Bioorg Med Chem Lett 14: 1879-87 (2004)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016200
PNG
(CHEMBL3262146)
Show SMILES Cl.Clc1cnc2nc(sc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C16H16ClN5OS.ClH/c17-11-6-14-15(20-7-11)21-16(24-14)22-5-4-19-8-12(22)10-23-13-2-1-3-18-9-13;/h1-3,6-7,9,12,19H,4-5,8,10H2;1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016184
PNG
(CHEMBL3262131)
Show SMILES Cl.C(Oc1cccnc1)C1CNCCN1c1nc2ncccc2o1
Show InChI InChI=1S/C16H17N5O2.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016185
PNG
(CHEMBL3262132)
Show SMILES Cl.C(Oc1cccnc1)[C@H]1CNCCN1c1nc2ncccc2o1
Show InChI InChI=1S/C16H17N5O2.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H/t12-;/m1./s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50454436
PNG
(ELATINE | Elatine)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@@]5(C[C@@H]6OC)OCO[C@@]5([C@@H](OC)[C@H]23)C14
Show InChI InChI=1S/C38H50N2O10/c1-7-39-17-35(18-48-33(43)21-10-8-9-11-24(21)40-27(41)14-20(2)32(40)42)13-12-26(45-4)37-23-15-22-25(44-3)16-36(28(23)29(22)46-5)38(34(37)39,50-19-49-36)31(47-6)30(35)37/h8-11,20,22-23,25-26,28-31,34H,7,12-19H2,1-6H3/t20-,22+,23+,25-,26-,28+,29-,30+,31-,34?,35-,36+,37-,38-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



School of Pharmacy and Pharmacology

Curated by ChEMBL


Assay Description
Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor


J Med Chem 39: 4860-6 (1997)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50366779
PNG
(METHYLLYCACONITINE)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14
Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



School of Pharmacy and Pharmacology

Curated by ChEMBL


Assay Description
Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor


J Med Chem 39: 4860-6 (1997)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016209
PNG
(CHEMBL3262155)
Show SMILES Cl.Clc1ccc(OC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C17H18ClN3O3.ClH/c18-13-3-5-15(6-4-13)24-17(22)21-9-8-20-10-14(21)12-23-16-2-1-7-19-11-16;/h1-7,11,14,20H,8-10,12H2;1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 9.5n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50081729
PNG
(4-{5-[1-Aza-bicyclo[2.2.2]oct-(3Z)-ylidenemethyl]-...)
Show SMILES N#Cc1ccc(cc1)-c1cc(\C=C2/CN3CCC2CC3)on1
Show InChI InChI=1S/C18H17N3O/c19-11-13-1-3-15(4-2-13)18-10-17(22-20-18)9-16-12-21-7-5-14(16)6-8-21/h1-4,9-10,14H,5-8,12H2/b16-9+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a>10n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity against nicotinic receptor in synaptic membrane fractions from rat cerebral cortices.


Bioorg Med Chem Lett 9: 2795-800 (1999)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016210
PNG
(CHEMBL3262156)
Show SMILES Cl.COc1ccc(OC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C18H21N3O4.ClH/c1-23-15-4-6-16(7-5-15)25-18(22)21-10-9-20-11-14(21)13-24-17-3-2-8-19-12-17;/h2-8,12,14,20H,9-11,13H2,1H3;1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50081733
PNG
(3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[...)
Show SMILES Cc1cc(\C=C2/CN3CCC2CC3)on1
Show InChI InChI=1S/C12H16N2O/c1-9-6-12(15-13-9)7-11-8-14-4-2-10(11)3-5-14/h6-7,10H,2-5,8H2,1H3/b11-7+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 12n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against nicotinic receptor in synaptic membrane fractions from rat cerebral cortices.


Bioorg Med Chem Lett 9: 2795-800 (1999)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat hipocampus


Proc Natl Acad Sci USA 104: 8059-64 (2007)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat amygdala


Proc Natl Acad Sci USA 104: 8059-64 (2007)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016227
PNG
(CHEMBL3262173)
Show SMILES Cl.O=C(Nc1ccc(cc1)-c1ccccc1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C23H24N4O2.ClH/c28-23(26-20-10-8-19(9-11-20)18-5-2-1-3-6-18)27-14-13-25-15-21(27)17-29-22-7-4-12-24-16-22;/h1-12,16,21,25H,13-15,17H2,(H,26,28);1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016225
PNG
(CHEMBL3262171)
Show SMILES Cl.Cc1cc(NC(=O)N2CCNCC2COc2cccnc2)ccc1Br
Show InChI InChI=1S/C18H21BrN4O2.ClH/c1-13-9-14(4-5-17(13)19)22-18(24)23-8-7-21-10-15(23)12-25-16-3-2-6-20-11-16;/h2-6,9,11,15,21H,7-8,10,12H2,1H3,(H,22,24);1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM248004
PNG
(US9434724, 13)
Show SMILES Fc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C17H19FN2O2/c18-13-2-1-3-14-15(13)12(10-19-14)16(21)22-11-17-4-7-20(8-5-17)9-6-17/h1-3,10,19H,4-9,11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
12.2n/a 14.1n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...


US Patent US9434724 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PubMed
n/an/a 16n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against nicotinic receptor in synaptic membrane fractions from rat cerebral cortices.


Bioorg Med Chem Lett 9: 2795-800 (1999)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016197
PNG
(CHEMBL3262143)
Show SMILES Cl.Fc1cccc2sc(nc12)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H17FN4OS.ClH/c18-14-4-1-5-15-16(14)21-17(24-15)22-8-7-20-9-12(22)11-23-13-3-2-6-19-10-13;/h1-6,10,12,20H,7-9,11H2;1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016198
PNG
(CHEMBL3262144)
Show SMILES Cl.Fc1cc(F)c2nc(sc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H16F2N4OS.ClH/c18-11-6-14(19)16-15(7-11)25-17(22-16)23-5-4-21-8-12(23)10-24-13-2-1-3-20-9-13;/h1-3,6-7,9,12,21H,4-5,8,10H2;1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50088438
PNG
(1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...)
Show SMILES C1CNCCN(C1)c1cccnc1
Show InChI InChI=1S/C10H15N3/c1-3-10(9-12-4-1)13-7-2-5-11-6-8-13/h1,3-4,9,11H,2,5-8H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Displacement of [3H]-alpha-bungarotoxin from alpha7 nicotine acetylcholine receptor in Wistar rat cerebral cortex after 2 hrs by liquid scintillation...


Bioorg Med Chem 23: 4375-89 (2015)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016217
PNG
(CHEMBL3262163)
Show SMILES Cl.COc1ccc(NC(=O)N2CCNC[C@@H]2COc2cccnc2)cc1
Show InChI InChI=1S/C18H22N4O3.ClH/c1-24-16-6-4-14(5-7-16)21-18(23)22-10-9-20-11-15(22)13-25-17-3-2-8-19-12-17;/h2-8,12,15,20H,9-11,13H2,1H3,(H,21,23);1H/t15-;/m1./s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016179
PNG
(CHEMBL3262126)
Show SMILES Cl.COc1ccc2nc(oc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C18H20N4O3.ClH/c1-23-14-4-5-16-17(9-14)25-18(21-16)22-8-7-20-10-13(22)12-24-15-3-2-6-19-11-15;/h2-6,9,11,13,20H,7-8,10,12H2,1H3;1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM247960
PNG
(US9434724, 34)
Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1C
Show InChI InChI=1S/C19H24N2O3/c1-13-16(23-2)4-3-15-17(13)14(11-20-15)18(22)24-12-19-5-8-21(9-6-19)10-7-19/h3-4,11,20H,5-10,12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
20.4n/a 23.6n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...


US Patent US9434724 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM248024
PNG
(US9434724, 39)
Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Cl
Show InChI InChI=1S/C18H21ClN2O3/c1-23-14-3-2-13-15(16(14)19)12(10-20-13)17(22)24-11-18-4-7-21(8-5-18)9-6-18/h2-3,10,20H,4-9,11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
20.6n/a 23.9n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...


US Patent US9434724 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50149146
PNG
((S)-3-(Benzo[b]thiophen-2-ylmethoxy)-1-aza-bicyclo...)
Show SMILES C(O[C@@H]1CN2CCC1CC2)c1cc2ccccc2s1
Show InChI InChI=1S/C16H19NOS/c1-2-4-16-13(3-1)9-14(19-16)11-18-15-10-17-7-5-12(15)6-8-17/h1-4,9,12,15H,5-8,10-11H2/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells


Bioorg Med Chem Lett 14: 3781-4 (2004)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM247988
PNG
(US9434724, 35)
Show SMILES Clc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C17H19ClN2O2/c18-13-2-1-3-14-15(13)12(10-19-14)16(21)22-11-17-4-7-20(8-5-17)9-6-17/h1-3,10,19H,4-9,11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
22.9n/a 26.6n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...


US Patent US9434724 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat cortex


Proc Natl Acad Sci USA 104: 8059-64 (2007)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM247999
PNG
(US9434724, 1)
Show SMILES O=C(OCC12CCN(CC1)CC2)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H20N2O2/c20-16(14-11-18-15-4-2-1-3-13(14)15)21-12-17-5-8-19(9-6-17)10-7-17/h1-4,11,18H,5-10,12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
27.6n/a 31.8n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...


US Patent US9434724 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM247980
PNG
(US9434724, 83)
Show SMILES Cc1cc(O)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C18H22N2O3/c1-12-8-13(21)9-15-16(12)14(10-19-15)17(22)23-11-18-2-5-20(6-3-18)7-4-18/h8-10,19,21H,2-7,11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
27.9n/a 31.8n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...


US Patent US9434724 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016199
PNG
(CHEMBL3262145)
Show SMILES Cl.C(Oc1cccnc1)C1CNCCN1c1nc2ncccc2s1
Show InChI InChI=1S/C16H17N5OS.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM248009
PNG
(US9434724, 18)
Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1
Show InChI InChI=1S/C18H22N2O3/c1-22-13-2-3-16-14(10-13)15(11-19-16)17(21)23-12-18-4-7-20(8-5-18)9-6-18/h2-3,10-11,19H,4-9,12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
28.3n/a 32.6n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...


US Patent US9434724 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM247967
PNG
(US9434724, 47)
Show SMILES COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Br
Show InChI InChI=1S/C18H21BrN2O3/c1-23-14-3-2-13-15(16(14)19)12(10-20-13)17(22)24-11-18-4-7-21(8-5-18)9-6-18/h2-3,10,20H,4-9,11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
28.5n/a 33.3n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...


US Patent US9434724 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM247990
PNG
(US9434724, 46)
Show SMILES Oc1cc(Cl)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C17H19ClN2O3/c18-13-7-11(21)8-14-15(13)12(9-19-14)16(22)23-10-17-1-4-20(5-2-17)6-3-17/h7-9,19,21H,1-6,10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
28.6n/a 33.4n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...


US Patent US9434724 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016208
PNG
(CHEMBL3262154)
Show SMILES Cl.O=C(Oc1ccccc1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H19N3O3.ClH/c21-17(23-15-5-2-1-3-6-15)20-10-9-19-11-14(20)13-22-16-7-4-8-18-12-16;/h1-8,12,14,19H,9-11,13H2;1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016212
PNG
(CHEMBL3262158)
Show SMILES Cl.Clc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1Cl
Show InChI InChI=1S/C17H18Cl2N4O2.ClH/c18-15-4-3-12(8-16(15)19)22-17(24)23-7-6-21-9-13(23)11-25-14-2-1-5-20-10-14;/h1-5,8,10,13,21H,6-7,9,11H2,(H,22,24);1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016228
PNG
(CHEMBL3262174)
Show SMILES Cl.O=C(Nc1ccc(cc1)C(=O)c1ccccc1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C24H24N4O3.ClH/c29-23(18-5-2-1-3-6-18)19-8-10-20(11-9-19)27-24(30)28-14-13-26-15-21(28)17-31-22-7-4-12-25-16-22;/h1-12,16,21,26H,13-15,17H2,(H,27,30);1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016226
PNG
(CHEMBL3262172)
Show SMILES Cl.Fc1cc(Br)ccc1NC(=O)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H18BrFN4O2.ClH/c18-12-3-4-16(15(19)8-12)22-17(24)23-7-6-21-9-13(23)11-25-14-2-1-5-20-10-14;/h1-5,8,10,13,21H,6-7,9,11H2,(H,22,24);1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016222
PNG
(CHEMBL3262168)
Show SMILES Cl.COc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1Cl
Show InChI InChI=1S/C18H21ClN4O3.ClH/c1-25-17-5-4-13(9-16(17)19)22-18(24)23-8-7-21-10-14(23)12-26-15-3-2-6-20-11-15;/h2-6,9,11,14,21H,7-8,10,12H2,1H3,(H,22,24);1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50096268
PNG
(CHEMBL3593676)
Show SMILES CN1CCCN(CC1)c1cccnc1
Show InChI InChI=1S/C11H17N3/c1-13-6-3-7-14(9-8-13)11-4-2-5-12-10-11/h2,4-5,10H,3,6-9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 46n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Displacement of [3H]-alpha-bungarotoxin from alpha7 nicotine acetylcholine receptor in Wistar rat cerebral cortex after 2 hrs by liquid scintillation...


Bioorg Med Chem 23: 4375-89 (2015)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016189
PNG
(CHEMBL3262135)
Show SMILES Cl.COc1ccc2nc(sc2c1)N1CCNC[C@@H]1COc1cccnc1
Show InChI InChI=1S/C18H20N4O2S.ClH/c1-23-14-4-5-16-17(9-14)25-18(21-16)22-8-7-20-10-13(22)12-24-15-3-2-6-19-11-15;/h2-6,9,11,13,20H,7-8,10,12H2,1H3;1H/t13-;/m1./s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM248023
PNG
(US9434724, 36)
Show SMILES COc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C18H22N2O3/c1-22-15-4-2-3-14-16(15)13(11-19-14)17(21)23-12-18-5-8-20(9-6-18)10-7-18/h2-4,11,19H,5-10,12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
42.3n/a 48.9n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...


US Patent US9434724 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM248022
PNG
(US9434724, 33)
Show SMILES COc1cc(F)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C18H21FN2O3/c1-23-12-8-14(19)16-13(10-20-15(16)9-12)17(22)24-11-18-2-5-21(6-3-18)7-4-18/h8-10,20H,2-7,11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
43.2n/a 49.6n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...


US Patent US9434724 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016224
PNG
(CHEMBL3262170)
Show SMILES Cl.Brc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C17H19BrN4O2.ClH/c18-13-3-5-14(6-4-13)21-17(23)22-9-8-20-10-15(22)12-24-16-2-1-7-19-11-16;/h1-7,11,15,20H,8-10,12H2,(H,21,23);1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM248028
PNG
(US9434724, 55)
Show SMILES Cc1cc2c(c[nH]c2cc1O)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C18H22N2O3/c1-12-8-13-14(10-19-15(13)9-16(12)21)17(22)23-11-18-2-5-20(6-3-18)7-4-18/h8-10,19,21H,2-7,11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
44.8n/a 52.3n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...


US Patent US9434724 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM247978
PNG
(US9434724, 75)
Show SMILES COc1c(C)ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C19H24N2O3/c1-13-3-4-15-16(17(13)23-2)14(11-20-15)18(22)24-12-19-5-8-21(9-6-19)10-7-19/h3-4,11,20H,5-10,12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
45n/a 52.5n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...


US Patent US9434724 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM247971
PNG
(US9434724, 53)
Show SMILES Oc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Show InChI InChI=1S/C17H19BrN2O3/c18-13-7-11(21)8-14-15(13)12(9-19-14)16(22)23-10-17-1-4-20(5-2-17)6-3-17/h7-9,19,21H,1-6,10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
46n/a 53.6n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...


US Patent US9434724 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50253820
PNG
((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C68H100N18O23S4/c1-31(2)19-36-55(95)76-38(22-50(70)89)57(97)79-41(23-51(71)90)66(106)84-16-6-9-47(84)63(103)77-39(24-53(92)93)58(98)75-37(21-34-12-14-35(88)15-13-34)56(96)83-46(68(108)109)30-113-112-29-45-62(102)80-42(26-87)59(99)78-40(20-32(3)4)65(105)86-18-8-11-49(86)67(107)85-17-7-10-48(85)64(104)82-44(60(100)72-33(5)54(94)74-36)28-111-110-27-43(61(101)81-45)73-52(91)25-69/h12-15,31-33,36-49,87-88H,6-11,16-30,69H2,1-5H3,(H2,70,89)(H2,71,90)(H,72,100)(H,73,91)(H,74,94)(H,75,98)(H,76,95)(H,77,103)(H,78,99)(H,79,97)(H,80,102)(H,81,101)(H,82,104)(H,83,96)(H,92,93)(H,108,109)/t33-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 55n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Activity at rat alpha7 nAChR expressed in Xenopus laevis assessed as inhibition of acetylcholine-induced current at holding potential of -80 mV by tw...


J Med Chem 51: 5575-84 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM247959
PNG
(US9434724, 24)
Show SMILES Brc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C17H19BrN2O2/c18-13-2-1-3-14-15(13)12(10-19-14)16(21)22-11-17-4-7-20(8-5-17)9-6-17/h1-3,10,19H,4-9,11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
50.4n/a 58.1n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...


US Patent US9434724 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM247958
PNG
(US9434724, 21)
Show SMILES Cc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Show InChI InChI=1S/C18H22N2O2/c1-13-3-2-4-15-16(13)14(11-19-15)17(21)22-12-18-5-8-20(9-6-18)10-7-18/h2-4,11,19H,5-10,12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
50.9n/a 58.8n/an/an/an/an/an/a



ALPHARMAGEN, LLC

US Patent


Assay Description
Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabasein...


US Patent US9434724 (2016)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 2161 total )  |  Next  |  Last  >>
Jump to: