new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 213 hits with Last Name = 'bertrand' and Initial = 's'   
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 protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PubMed
0.180n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur Strasbourg BP 24

Curated by ChEMBL


Assay Description
In vitro inhibitory potency for preventing ET-1 induced constriction of rat aortic rings (ETA receptor)


Bioorg Med Chem Lett 13: 1001-4 (2003)


BindingDB Entry DOI: 10.7270/Q2WW7JV4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50125187
PNG
(2-(2-Chloro-pyrimidin-5-yl)-7-aza-bicyclo[2.2.1]he...)
Show SMILES Clc1ncc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C10H12ClN3/c11-10-12-4-6(5-13-10)8-3-7-1-2-9(8)14-7/h4-5,7-9,14H,1-3H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.310n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur Strasbourg BP 24

Curated by ChEMBL


Assay Description
In vitro inhibitory potency for preventing sarafotoxin S6c induced constriction of rat tracheal rings (ETB receptor)


Bioorg Med Chem Lett 13: 1001-4 (2003)


BindingDB Entry DOI: 10.7270/Q2WW7JV4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50296742
PNG
(1,4-diazabicyclo[3.2.2]nonane-(4-bromo)-phenyl car...)
Show SMILES Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(1.51,4.96,;.33,3.96,;.6,2.44,;-.59,1.45,;-2.03,1.98,;-3.21,.98,;-4.67,1.51,;-4.94,3.03,;-5.85,.51,;-5.48,-.96,;-6.49,-.24,;-7.87,-.31,;-7.95,1.4,;-7.33,2.56,;-7.26,1.14,;-8.56,.43,;-8.86,-1.01,;-2.31,3.49,;-1.14,4.49,)|
Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2
PDB

KEGG

UniProtKB/SwissProt

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

Patents

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



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human alpha7 nAChR


ACS Med Chem Lett 1: 422-426 (2010)


Article DOI: 10.1021/ml100125f
BindingDB Entry DOI: 10.7270/Q29S1RB9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50125188
PNG
(CHEMBL268176 | N-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl...)
Show SMILES ClCC(=O)Nc1ccc(cn1)C1CC2CCC1N2 |THB:8:11:17:15.14|
Show InChI InChI=1S/C13H16ClN3O/c14-6-13(18)17-12-4-1-8(7-15-12)10-5-9-2-3-11(10)16-9/h1,4,7,9-11,16H,2-3,5-6H2,(H,15,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
16n/an/an/an/an/an/an/an/a



Universit£ Louis Pasteur Strasbourg BP 24

Curated by ChEMBL


Assay Description
In vitro inhibitory potency for preventing ET-1 induced constriction of rat aortic rings (ETA receptor)


Bioorg Med Chem Lett 13: 1001-4 (2003)


BindingDB Entry DOI: 10.7270/Q2WW7JV4
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50267844
PNG
(3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylox...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
63.1n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
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

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
63.1n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413516
PNG
(CHEMBL522249)
Show SMILES CN1C2CCC1CC(C2)OC(=O)COC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C25H29NO3/c1-26-19-12-13-20(26)15-21(14-19)29-24(27)16-28-25-22-8-4-2-6-17(22)10-11-18-7-3-5-9-23(18)25/h2-9,19-21,25H,10-16H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
100n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50267883
PNG
(8-Benzyl-3-(10,11-dihydro-5H-dibenzo[a,d]cyclohept...)
Show SMILES C(N1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1
Show InChI InChI=1S/C29H31NO/c1-2-8-21(9-3-1)20-30-24-16-17-25(30)19-26(18-24)31-29-27-12-6-4-10-22(27)14-15-23-11-5-7-13-28(23)29/h1-13,24-26,29H,14-20H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
100n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413513
PNG
(CHEMBL452172)
Show SMILES CCN1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C24H29NO/c1-2-25-19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,2,11-16H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
126n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413514
PNG
(CHEMBL522981)
Show SMILES CN1C2CCC1CC(C2)OC1c2ccccc2CCc2ccc(C)cc12
Show InChI InChI=1S/C24H29NO/c1-16-7-8-18-10-9-17-5-3-4-6-22(17)24(23(18)13-16)26-21-14-19-11-12-20(15-21)25(19)2/h3-8,13,19-21,24H,9-12,14-15H2,1-2H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
126n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419188
PNG
(CHEMBL1616460)
Show SMILES C(N1CCCC1)c1ccccc1Sc1ccccc1
Show InChI InChI=1S/C17H19NS/c1-2-9-16(10-3-1)19-17-11-5-4-8-15(17)14-18-12-6-7-13-18/h1-5,8-11H,6-7,12-14H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
200n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
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

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
316n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413509
PNG
(CHEMBL523130)
Show SMILES C1CC2CC(CC1N2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C22H25NO/c1-3-7-20-15(5-1)9-10-16-6-2-4-8-21(16)22(20)24-19-13-17-11-12-18(14-19)23-17/h1-8,17-19,22-23H,9-14H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
316n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419176
PNG
(CHEMBL1831027)
Show SMILES Cc1ccccc1C(OCCN1CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-18-10-6-7-13-20(18)21(19-11-4-2-5-12-19)23-17-16-22-14-8-3-9-15-22/h2,4-7,10-13,21H,3,8-9,14-17H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
316n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413519
PNG
(CHEMBL491860)
Show SMILES CN1C2CCC1CC(C2)OC1c2ccccc2CCc2c(C)cccc12
Show InChI InChI=1S/C24H29NO/c1-16-6-5-9-23-21(16)13-10-17-7-3-4-8-22(17)24(23)26-20-14-18-11-12-19(15-20)25(18)2/h3-9,18-20,24H,10-15H2,1-2H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
316n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419186
PNG
(CHEMBL1545942)
Show SMILES OCCc1c([nH]c2ccccc12)C1CC2CCN1CC2C=C |THB:20:19:12.13:16.15,4:12:19.18:16.15|
Show InChI InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
398n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413520
PNG
(CHEMBL503237)
Show SMILES CN1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
398n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419198
PNG
(CHEMBL1828843)
Show SMILES CC1(C)CC(=CC(C)(C)N1)c1cc(Br)c(s1)C1=CC(C)(C)NC(C)(C)C1 |c:4,t:18|
Show InChI InChI=1S/C22H33BrN2S/c1-19(2)10-14(11-20(3,4)24-19)17-9-16(23)18(26-17)15-12-21(5,6)25-22(7,8)13-15/h9-10,12,24-25H,11,13H2,1-8H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
398n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419180
PNG
(CHEMBL1831037)
Show SMILES Cc1ccc(cc1)C(OCC1CCC[N+](C)(C)C1)c1ccccc1
Show InChI InChI=1S/C22H30NO/c1-18-11-13-21(14-12-18)22(20-9-5-4-6-10-20)24-17-19-8-7-15-23(2,3)16-19/h4-6,9-14,19,22H,7-8,15-17H2,1-3H3/q+1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
501n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419190
PNG
(CHEMBL1828844)
Show SMILES O=C1COc2ccccc2N1CCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C21H24N2O2/c24-21-16-25-20-10-4-3-9-19(20)23(21)13-6-5-12-22-14-11-17-7-1-2-8-18(17)15-22/h1-4,7-10H,5-6,11-16H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
501n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413512
PNG
(CHEMBL490643)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-1-[#6]-[#6](-[#6]-2)-[#8]-[#6]-1-c2ccccc2-[#6]-[#6]-c2ccccc-12
Show InChI InChI=1S/C25H32N4O/c26-25(27)28-13-14-29-19-11-12-20(29)16-21(15-19)30-24-22-7-3-1-5-17(22)9-10-18-6-2-4-8-23(18)24/h1-8,19-21,24H,9-16H2,(H4,26,27,28)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
501n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413515
PNG
(CHEMBL489034)
Show SMILES CCCN1CCC(CC1)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C23H29NO/c1-2-15-24-16-13-20(14-17-24)25-23-21-9-5-3-7-18(21)11-12-19-8-4-6-10-22(19)23/h3-10,20,23H,2,11-17H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
631n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419178
PNG
(CHEMBL1831029)
Show SMILES CC1CC[N+]2(C)CCc3c([nH]c4ccccc34)C2C1
Show InChI InChI=1S/C17H23N2/c1-12-7-9-19(2)10-8-14-13-5-3-4-6-15(13)18-17(14)16(19)11-12/h3-6,12,16,18H,7-11H2,1-2H3/q+1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
631n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419192
PNG
(CHEMBL1828846)
Show SMILES CC1CC2(CCCCC2)NCc2ccccc12
Show InChI InChI=1S/C16H23N/c1-13-11-16(9-5-2-6-10-16)17-12-14-7-3-4-8-15(13)14/h3-4,7-8,13,17H,2,5-6,9-12H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
631n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419175
PNG
(CHEMBL1831034)
Show SMILES CN1CC2Cc3ccccc3C1c1ccccc21 |TLB:0:1:12.17:4.5.10,13:12:4.5.10:1.2,9:10:12.17:1.2,THB:16:17:4.5.10:1.2|
Show InChI InChI=1S/C17H17N/c1-18-11-13-10-12-6-2-3-8-15(12)17(18)16-9-5-4-7-14(13)16/h2-9,13,17H,10-11H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
794n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM74511
PNG
(1-(1-benzothien-3-ylmethyl)piperidine | 1-(1-benzo...)
Show SMILES C(N1CCCCC1)c1csc2ccccc12
Show InChI InChI=1S/C14H17NS/c1-4-8-15(9-5-1)10-12-11-16-14-7-3-2-6-13(12)14/h2-3,6-7,11H,1,4-5,8-10H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50353946
PNG
(CHEMBL1831032)
Show SMILES C(Cc1cc2ccccc2[nH]1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H24N2/c1-2-6-17(7-3-1)18-10-13-23(14-11-18)15-12-20-16-19-8-4-5-9-21(19)22-20/h1-9,16,18,22H,10-15H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
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
DrugBank
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
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
DrugBank
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419185
PNG
(CHEMBL1831048)
Show SMILES C[N+]1(CCO)Cc2sc3ccc(Cl)cc3c2C1
Show InChI InChI=1S/C13H15ClNOS/c1-15(4-5-16)7-11-10-6-9(14)2-3-12(10)17-13(11)8-15/h2-3,6,16H,4-5,7-8H2,1H3/q+1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413517
PNG
(CHEMBL490849)
Show SMILES N#CCCN1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C25H28N2O/c26-14-5-15-27-20-12-13-21(27)17-22(16-20)28-25-23-8-3-1-6-18(23)10-11-19-7-2-4-9-24(19)25/h1-4,6-9,20-22,25H,5,10-13,15-17H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413518
PNG
(CHEMBL490442)
Show SMILES ONC(=N)CCN1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C25H31N3O2/c26-24(27-29)13-14-28-19-11-12-20(28)16-21(15-19)30-25-22-7-3-1-5-17(22)9-10-18-6-2-4-8-23(18)25/h1-8,19-21,25,29H,9-16H2,(H2,26,27)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.26E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419177
PNG
(CHEMBL1831028)
Show SMILES C1CC2N(C1)CCc1c2[nH]c2ccccc12
Show InChI InChI=1S/C14H16N2/c1-2-5-12-10(4-1)11-7-9-16-8-3-6-13(16)14(11)15-12/h1-2,4-5,13,15H,3,6-9H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.26E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419189
PNG
(CHEMBL1619901)
Show SMILES OC(COCc1ccc(Cl)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C19H22ClNO2/c20-18-7-5-15(6-8-18)13-23-14-19(22)12-21-10-9-16-3-1-2-4-17(16)11-21/h1-8,19,22H,9-14H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.58E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419200
PNG
(CHEMBL1740345)
Show SMILES ClC1(CNc2ccccc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H23ClN2/c20-19(16-21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,21H,11-16H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.58E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419191
PNG
(CHEMBL1828845)
Show SMILES CSc1[nH]c2ccccc2c1CN1CCCCC1
Show InChI InChI=1S/C15H20N2S/c1-18-15-13(11-17-9-5-2-6-10-17)12-7-3-4-8-14(12)16-15/h3-4,7-8,16H,2,5-6,9-11H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.58E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413510
PNG
(HEPZIDINE)
Show SMILES CN1CCC(CC1)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C21H25NO/c1-22-14-12-18(13-15-22)23-21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-9,18,21H,10-15H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.58E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419187
PNG
(CHEMBL1624521)
Show SMILES CN1CCN(Cc2ccccc2Sc2ccccc2)CC1
Show InChI InChI=1S/C18H22N2S/c1-19-11-13-20(14-12-19)15-16-7-5-6-10-18(16)21-17-8-3-2-4-9-17/h2-10H,11-15H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.58E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50267844
PNG
(3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylox...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419197
PNG
(CHEMBL1831047)
Show SMILES C(CSc1cc2ccccc2[nH]1)CN1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27N3S/c1-2-7-19(8-3-1)18-25-14-12-24(13-15-25)11-6-16-26-22-17-20-9-4-5-10-21(20)23-22/h1-5,7-10,17,23H,6,11-16,18H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50353944
PNG
(CHEMBL1831036)
Show SMILES C(Cc1nc2ccccc2[nH]1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H23N3/c1-2-6-16(7-3-1)17-10-13-23(14-11-17)15-12-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.51E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
3.16E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413511
PNG
(CHEMBL489015)
Show SMILES C1CC(CCN1)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23NO/c1-3-7-18-15(5-1)9-10-16-6-2-4-8-19(16)20(18)22-17-11-13-21-14-12-17/h1-8,17,20-21H,9-14H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.16E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


J Med Chem 52: 2372-83 (2009)


Article DOI: 10.1021/jm801400g
BindingDB Entry DOI: 10.7270/Q2NK3DXK
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419194
PNG
(CHEMBL1828849)
Show SMILES CC(Cc1ccccc1)NC1CN2CCC1CC2 |THB:9:10:13.14:17.16,(49.97,-42.94,;49.74,-44.46,;50.94,-45.42,;52.38,-44.86,;53.58,-45.82,;55.01,-45.26,;55.24,-43.73,;54.03,-42.77,;52.6,-43.34,;48.31,-45.02,;47.1,-44.06,;47.4,-42.55,;45.92,-43.23,;44.25,-42.53,;44.04,-44.03,;45.64,-44.72,;45.71,-46.5,;46.19,-45.3,)|
Show InChI InChI=1S/C16H24N2/c1-13(11-14-5-3-2-4-6-14)17-16-12-18-9-7-15(16)8-10-18/h2-6,13,15-17H,7-12H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.16E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419195
PNG
(CHEMBL1828847)
Show SMILES CCN(CC)Cc1csc2ccc(Cl)cc12
Show InChI InChI=1S/C13H16ClNS/c1-3-15(4-2)8-10-9-16-13-6-5-11(14)7-12(10)13/h5-7,9H,3-4,8H2,1-2H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.98E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50419191
PNG
(CHEMBL1828845)
Show SMILES CSc1[nH]c2ccccc2c1CN1CCCCC1
Show InChI InChI=1S/C15H20N2S/c1-18-15-13(11-17-9-5-2-6-10-17)12-7-3-4-8-14(12)16-15/h3-4,7-8,16H,2,5-6,9-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.98E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419181
PNG
(CHEMBL1831042)
Show SMILES NCC(OCc1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C15H15Cl2NO/c16-13-7-6-12(14(17)8-13)10-19-15(9-18)11-4-2-1-3-5-11/h1-8,15H,9-10,18H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.01E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419182
PNG
(CHEMBL1831044)
Show SMILES NCC(OCc1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C15H16ClNO/c16-14-8-6-12(7-9-14)11-18-15(10-17)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
6.31E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
6.31E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
7.94E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem 19: 6107-19 (2011)


Article DOI: 10.1016/j.bmc.2011.08.028
BindingDB Entry DOI: 10.7270/Q2SN09BH
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 213 total )  |  Next  |  Last  >>
Jump to: