BindingDB logo
myBDB logout

PubMed code 21986237

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus (Rat))
BDBM50356471
PNG
(CHEMBL1911861)
Show SMILES Oc1c(oc2ccccc12)C1=NC2(CN1)CN1CCC2CC1
Show InChI InChI=1S/C17H19N3O2/c21-14-12-3-1-2-4-13(12)22-15(14)16-18-9-17(19-16)10-20-7-5-11(17)6-8-20/h1-4,11,21H,5-10H2,(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.20n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllycaconitine from alpha7 nAChR in rat hippocampal membranes after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5625-35 (2011)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50356467
PNG
(CHEMBL1911855)
Show SMILES COc1ccc(cc1)C1=NCC2(CN3CCC2CC3)NC(=O)C1
Show InChI InChI=1S/C18H23N3O2/c1-23-15-4-2-13(3-5-15)16-10-17(22)20-18(11-19-16)12-21-8-6-14(18)7-9-21/h2-5,14H,6-12H2,1H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllycaconitine from alpha7 nAChR in rat hippocampal membranes after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5625-35 (2011)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50356469
PNG
(CHEMBL1911857)
Show SMILES O=C1CC(=NCC2(CN3CCC2CC3)N1)c1cccs1
Show InChI InChI=1S/C15H19N3OS/c19-14-8-12(13-2-1-7-20-13)16-9-15(17-14)10-18-5-3-11(15)4-6-18/h1-2,7,11H,3-6,8-10H2,(H,17,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
58n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllycaconitine from alpha7 nAChR in rat hippocampal membranes after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5625-35 (2011)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50356468
PNG
(CHEMBL1911856)
Show SMILES Brc1ccc(s1)C1=NCC2(CN3CCC2CC3)NC(=O)C1
Show InChI InChI=1S/C15H18BrN3OS/c16-13-2-1-12(21-13)11-7-14(20)18-15(8-17-11)9-19-5-3-10(15)4-6-19/h1-2,10H,3-9H2,(H,18,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
77n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllycaconitine from alpha7 nAChR in rat hippocampal membranes after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5625-35 (2011)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50356466
PNG
(CHEMBL1911854)
Show SMILES COc1cccc(c1)C1=NCC2(CN3CCC2CC3)NC(=O)C1
Show InChI InChI=1S/C18H23N3O2/c1-23-15-4-2-3-13(9-15)16-10-17(22)20-18(11-19-16)12-21-7-5-14(18)6-8-21/h2-4,9,14H,5-8,10-12H2,1H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
87n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllycaconitine from alpha7 nAChR in rat hippocampal membranes after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5625-35 (2011)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50356465
PNG
(CHEMBL1911853)
Show SMILES COc1ccccc1C1=NCC2(CN3CCC2CC3)NC(=O)C1
Show InChI InChI=1S/C18H23N3O2/c1-23-16-5-3-2-4-14(16)15-10-17(22)20-18(11-19-15)12-21-8-6-13(18)7-9-21/h2-5,13H,6-12H2,1H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllycaconitine from alpha7 nAChR in rat hippocampal membranes after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5625-35 (2011)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50356472
PNG
(CHEMBL1911862)
Show SMILES Nc1c(oc2ccccc12)C1=NC2(CN1)CN1CCC2CC1
Show InChI InChI=1S/C17H20N4O/c18-14-12-3-1-2-4-13(12)22-15(14)16-19-9-17(20-16)10-21-7-5-11(17)6-8-21/h1-4,11H,5-10,18H2,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
120n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllycaconitine from alpha7 nAChR in rat hippocampal membranes after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5625-35 (2011)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50356464
PNG
(CHEMBL1911852)
Show SMILES O=C1CC(=NCC2(CN3CCC2CC3)N1)c1ccccc1
Show InChI InChI=1S/C17H21N3O/c21-16-10-15(13-4-2-1-3-5-13)18-11-17(19-16)12-20-8-6-14(17)7-9-20/h1-5,14H,6-12H2,(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
140n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllycaconitine from alpha7 nAChR in rat hippocampal membranes after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5625-35 (2011)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50356470
PNG
(CHEMBL1911858)
Show SMILES O=C1CC(=NCC2(CN3CCC2CC3)N1)c1ccco1
Show InChI InChI=1S/C15H19N3O2/c19-14-8-12(13-2-1-7-20-13)16-9-15(17-14)10-18-5-3-11(15)4-6-18/h1-2,7,11H,3-6,8-10H2,(H,17,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
150n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllycaconitine from alpha7 nAChR in rat hippocampal membranes after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5625-35 (2011)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50356473
PNG
(CHEMBL1911864)
Show SMILES Oc1ccccc1C1=NCC2(CN3CCC2CC3)N1
Show InChI InChI=1S/C15H19N3O/c19-13-4-2-1-3-12(13)14-16-9-15(17-14)10-18-7-5-11(15)6-8-18/h1-4,11,19H,5-10H2,(H,16,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
290n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllycaconitine from alpha7 nAChR in rat hippocampal membranes after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5625-35 (2011)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50264117
PNG
(3-[1-(4-Hydroxy-2-methoxy-phenyl)-meth-(E)-ylidene...)
Show SMILES COc1cc(O)ccc1\C=C1/CCC[NH+]=C1c1cccnc1
Show InChI InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/p+1/b14-10+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
420n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllycaconitine from alpha7 nAChR in rat hippocampal membranes after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5625-35 (2011)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50061564
PNG
((3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-...)
Show SMILES COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1
Show InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllycaconitine from alpha7 nAChR in rat hippocampal membranes after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5625-35 (2011)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50264117
PNG
(3-[1-(4-Hydroxy-2-methoxy-phenyl)-meth-(E)-ylidene...)
Show SMILES COc1cc(O)ccc1\C=C1/CCC[NH+]=C1c1cccnc1
Show InChI InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/p+1/b14-10+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.60E+3n/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant alpha7 nAChR expressed in GH4C1 cells by patch clamp technique


Eur J Med Chem 46: 5625-35 (2011)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50061564
PNG
((3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-...)
Show SMILES COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1
Show InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from Lymnaea stagnalis N-terminal FLAG-tagged AChBP expressed in HEK293 cells after 2 hrs by liquid scintillation co...


Eur J Med Chem 46: 5625-35 (2011)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50320526
PNG
(3-(4-Aminobenzylidene)anabaseine | CHEMBL1163383)
Show SMILES Nc1ccc(\C=C2/CCCN=C2c2cccnc2)cc1
Show InChI InChI=1S/C17H17N3/c18-16-7-5-13(6-8-16)11-14-3-2-10-20-17(14)15-4-1-9-19-12-15/h1,4-9,11-12H,2-3,10,18H2/b14-11+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 0.800n/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from Lymnaea stagnalis N-terminal FLAG-tagged AChBP expressed in HEK293 cells after 2 hrs by liquid scintillation co...


Eur J Med Chem 46: 5625-35 (2011)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50320567
PNG
(3-(2,4-Dihydroxybenzylidene)anabaseine | CHEMBL116...)
Show SMILES Oc1ccc(\C=C2/CCCN=C2c2cccnc2)c(O)c1
Show InChI InChI=1S/C17H16N2O2/c20-15-6-5-12(16(21)10-15)9-13-3-2-8-19-17(13)14-4-1-7-18-11-14/h1,4-7,9-11,20-21H,2-3,8H2/b13-9+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.800n/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from Lymnaea stagnalis N-terminal FLAG-tagged AChBP expressed in HEK293 cells after 2 hrs by liquid scintillation co...


Eur J Med Chem 46: 5625-35 (2011)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50356472
PNG
(CHEMBL1911862)
Show SMILES Nc1c(oc2ccccc12)C1=NC2(CN1)CN1CCC2CC1
Show InChI InChI=1S/C17H20N4O/c18-14-12-3-1-2-4-13(12)22-15(14)16-19-9-17(20-16)10-21-7-5-11(17)6-8-21/h1-4,11H,5-10,18H2,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.20E+3n/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant alpha7 nAChR expressed in GH4C1 cells by patch clamp technique


Eur J Med Chem 46: 5625-35 (2011)

More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50264117
PNG
(3-[1-(4-Hydroxy-2-methoxy-phenyl)-meth-(E)-ylidene...)
Show SMILES COc1cc(O)ccc1\C=C1/CCC[NH+]=C1c1cccnc1
Show InChI InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/p+1/b14-10+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 0.400n/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from Lymnaea stagnalis N-terminal FLAG-tagged AChBP expressed in HEK293 cells after 2 hrs by liquid scintillation co...


Eur J Med Chem 46: 5625-35 (2011)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%