Found 38 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500420
(CHEMBL3746010)Show SMILES O=C(N[C@@H]1CN2CCC1CC2)c1cc2ccoc2cn1 |r,wU:3.2,(-.26,-3.61,;-.24,-2.38,;1.09,-1.62,;2.42,-2.41,;2.41,-4.02,;3.8,-4.81,;5.2,-4,;5.2,-2.38,;3.8,-1.56,;3.25,-2.73,;4.32,-3.37,;-1.57,-1.6,;-2.92,-2.36,;-4.24,-1.55,;-5.7,-1.99,;-6.58,-.77,;-5.66,.47,;-4.21,-.02,;-2.87,.74,;-1.54,-.07,)| Show InChI InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500406
(CHEMBL3746146)Show SMILES COc1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:13.14,(-.87,6.72,;-.29,5.63,;-1.11,4.33,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,;-1.2,1.67,;-.39,2.97,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C16H20N4O/c1-21-14-4-2-3-13(9-14)15-10-20(18-17-15)16-11-19-7-5-12(16)6-8-19/h2-4,9-10,12,16H,5-8,11H2,1H3/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50500421
(CHEMBL3747344)Show SMILES C1CN2CCC1[C@H](C2)n1cc(nn1)-c1ccc2occc2c1 |r,wD:6.9,(5.21,-2.38,;5.21,-4.01,;3.81,-4.82,;4.33,-3.38,;3.26,-2.73,;3.81,-1.57,;2.43,-2.41,;2.41,-4.02,;1.04,-1.6,;.91,-.08,;-.59,.25,;-1.37,-1.07,;-.35,-2.22,;-1.2,1.67,;-.38,2.96,;-1.1,4.34,;-2.64,4.39,;-3.62,5.57,;-5.05,4.99,;-4.95,3.48,;-3.46,3.1,;-2.76,1.72,)| Show InChI InChI=1S/C17H18N4O/c1-2-17-14(5-8-22-17)9-13(1)15-10-21(19-18-15)16-11-20-6-3-12(16)4-7-20/h1-2,5,8-10,12,16H,3-4,6-7,11H2/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [3H]BRL 43694 from human 5-HT3 receptor expressed in CHO cells after 120 mins by scintillation counting |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500421
(CHEMBL3747344)Show SMILES C1CN2CCC1[C@H](C2)n1cc(nn1)-c1ccc2occc2c1 |r,wD:6.9,(5.21,-2.38,;5.21,-4.01,;3.81,-4.82,;4.33,-3.38,;3.26,-2.73,;3.81,-1.57,;2.43,-2.41,;2.41,-4.02,;1.04,-1.6,;.91,-.08,;-.59,.25,;-1.37,-1.07,;-.35,-2.22,;-1.2,1.67,;-.38,2.96,;-1.1,4.34,;-2.64,4.39,;-3.62,5.57,;-5.05,4.99,;-4.95,3.48,;-3.46,3.1,;-2.76,1.72,)| Show InChI InChI=1S/C17H18N4O/c1-2-17-14(5-8-22-17)9-13(1)15-10-21(19-18-15)16-11-20-6-3-12(16)4-7-20/h1-2,5,8-10,12,16H,3-4,6-7,11H2/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50500406
(CHEMBL3746146)Show SMILES COc1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:13.14,(-.87,6.72,;-.29,5.63,;-1.11,4.33,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,;-1.2,1.67,;-.39,2.97,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C16H20N4O/c1-21-14-4-2-3-13(9-14)15-10-20(18-17-15)16-11-19-7-5-12(16)6-8-19/h2-4,9-10,12,16H,5-8,11H2,1H3/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [3H]BRL 43694 from human 5-HT3 receptor expressed in CHO cells after 120 mins by scintillation counting |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500425
(CHEMBL3746888)Show SMILES Clc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:12.13,(-3.22,5.47,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C15H17ClN4/c16-13-3-1-11(2-4-13)14-9-20(18-17-14)15-10-19-7-5-12(15)6-8-19/h1-4,9,12,15H,5-8,10H2/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500427
(CHEMBL3745768)Show SMILES C1CN2CCC1[C@H](C2)n1cc(nn1)-c1ccccc1 |r,wD:6.9,(5.21,-2.38,;5.21,-4.01,;3.81,-4.83,;4.33,-3.38,;3.26,-2.74,;3.81,-1.57,;2.43,-2.41,;2.41,-4.03,;1.05,-1.6,;.92,-.08,;-.59,.25,;-1.37,-1.07,;-.35,-2.23,;-1.2,1.67,;-.39,2.97,;-1.11,4.33,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,)| Show InChI InChI=1S/C15H18N4/c1-2-4-12(5-3-1)14-10-19(17-16-14)15-11-18-8-6-13(15)7-9-18/h1-5,10,13,15H,6-9,11H2/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500422
(CHEMBL3747596)Show SMILES C1CN2CCC1[C@H](C2)n1cc(nn1)-c1cccs1 |r,wD:6.9,(5.21,-2.38,;5.21,-4.01,;3.81,-4.83,;4.33,-3.38,;3.26,-2.74,;3.81,-1.57,;2.43,-2.41,;2.41,-4.03,;1.05,-1.6,;.92,-.08,;-.59,.25,;-1.37,-1.07,;-.35,-2.23,;-1.2,1.67,;-.52,3.03,;-1.63,4.1,;-2.99,3.37,;-2.72,1.86,)| Show InChI InChI=1S/C13H16N4S/c1-2-13(18-7-1)11-8-17(15-14-11)12-9-16-5-3-10(12)4-6-16/h1-2,7-8,10,12H,3-6,9H2/t12-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500413
(CHEMBL3746380)Show SMILES OCc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:13.14,(-4.6,5.79,;-3.37,5.75,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C16H20N4O/c21-11-12-1-3-13(4-2-12)15-9-20(18-17-15)16-10-19-7-5-14(16)6-8-19/h1-4,9,14,16,21H,5-8,10-11H2/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500432
(CHEMBL3747581)Show SMILES Fc1ccc(cc1F)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:13.14,(-3.22,5.47,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,;-1.2,1.67,;-.39,2.97,;-1.11,4.33,;-.45,5.37,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C15H16F2N4/c16-12-2-1-11(7-13(12)17)14-8-21(19-18-14)15-9-20-5-3-10(15)4-6-20/h1-2,7-8,10,15H,3-6,9H2/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500409
(CHEMBL3747258)Show SMILES Fc1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:12.13,(-.45,5.37,;-1.11,4.33,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,;-1.2,1.67,;-.39,2.97,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C15H17FN4/c16-13-3-1-2-12(8-13)14-9-20(18-17-14)15-10-19-6-4-11(15)5-7-19/h1-3,8-9,11,15H,4-7,10H2/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500434
(CHEMBL3747531)Show SMILES COc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:13.14,(-4.6,5.79,;-3.37,5.75,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C16H20N4O/c1-21-14-4-2-12(3-5-14)15-10-20(18-17-15)16-11-19-8-6-13(16)7-9-19/h2-5,10,13,16H,6-9,11H2,1H3/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500428
(CHEMBL3746618)Show SMILES Fc1ccccc1-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:12.13,(.84,2.92,;-.39,2.97,;-1.11,4.33,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,;-1.2,1.67,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C15H17FN4/c16-13-4-2-1-3-12(13)14-9-20(18-17-14)15-10-19-7-5-11(15)6-8-19/h1-4,9,11,15H,5-8,10H2/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500408
(CHEMBL3747760)Show SMILES Fc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:12.13,(-3.22,5.47,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C15H17FN4/c16-13-3-1-11(2-4-13)14-9-20(18-17-14)15-10-19-7-5-12(15)6-8-19/h1-4,9,12,15H,5-8,10H2/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50161764
((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...)Show SMILES Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:10.10,TLB:9:10:14.13:16.17,(9.34,-31.61,;10.67,-32.38,;10.67,-33.92,;12,-34.69,;13.35,-33.92,;13.34,-32.37,;12,-31.6,;14.68,-34.69,;16.01,-33.92,;14.68,-36.23,;16.02,-37,;16.46,-35.89,;16.53,-37.53,;15.18,-38.13,;14.9,-39.53,;16.27,-38.89,;17.81,-39.55,;18,-38.17,)| Show InChI InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1 | PDB
Reactome pathway
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| Purchase
CHEMBL
MCE
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UniChem
Patents
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500411
(CHEMBL3746354)Show SMILES Clc1ccc(cc1Cl)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:13.14,(-3.22,5.47,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,;-1.2,1.67,;-.39,2.97,;-1.11,4.33,;-.45,5.37,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C15H16Cl2N4/c16-12-2-1-11(7-13(12)17)14-8-21(19-18-14)15-9-20-5-3-10(15)4-6-20/h1-2,7-8,10,15H,3-6,9H2/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| PC cid
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UniChem
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500417
(CHEMBL3745845)Show SMILES C1CN2CCC1[C@H](C2)n1cc(nn1)-c1ccc2sccc2c1 |r,wD:6.9,(5.21,-2.38,;5.21,-4.01,;3.81,-4.82,;4.33,-3.38,;3.26,-2.73,;3.81,-1.57,;2.43,-2.41,;2.41,-4.02,;1.04,-1.6,;.91,-.08,;-.59,.25,;-1.37,-1.07,;-.35,-2.22,;-1.2,1.67,;-.38,2.96,;-1.1,4.34,;-2.64,4.39,;-3.62,5.57,;-5.05,4.99,;-4.95,3.48,;-3.46,3.1,;-2.76,1.72,)| Show InChI InChI=1S/C17H18N4S/c1-2-17-14(5-8-22-17)9-13(1)15-10-21(19-18-15)16-11-20-6-3-12(16)4-7-20/h1-2,5,8-10,12,16H,3-4,6-7,11H2/t16-/m0/s1 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| PC cid
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UniChem
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500433
(CHEMBL3747104)Show SMILES FCc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:13.14,(-4.6,5.79,;-3.37,5.75,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C16H19FN4/c17-9-12-1-3-13(4-2-12)15-10-21(19-18-15)16-11-20-7-5-14(16)6-8-20/h1-4,10,14,16H,5-9,11H2/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50500407
(CHEMBL3746799)Show SMILES C1CN2CCC1C(C2)n1cc(nn1)-c1ccc2[nH]ccc2c1 |(5.21,-2.38,;5.21,-4.01,;3.81,-4.82,;4.33,-3.38,;3.26,-2.73,;3.81,-1.57,;2.43,-2.41,;2.41,-4.02,;1.04,-1.6,;-.33,-2.26,;-1.38,-1.13,;-.63,.22,;.88,-.08,;-2.91,-1.31,;-3.61,-2.67,;-5.16,-2.76,;-5.99,-1.45,;-7.5,-1.2,;-7.73,.32,;-6.37,.99,;-5.29,-.09,;-3.75,.01,)| Show InChI InChI=1S/C17H19N5/c1-2-15-14(3-6-18-15)9-13(1)16-10-22(20-19-16)17-11-21-7-4-12(17)5-8-21/h1-3,6,9-10,12,17-18H,4-5,7-8,11H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| PC cid
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UniChem
| Article
PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [3H]BRL 43694 from human 5-HT3 receptor expressed in CHO cells after 120 mins by scintillation counting |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500414
(CHEMBL3746189)Show SMILES COc1ccc(cn1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:13.14,(-4.6,5.79,;-3.37,5.75,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,;-1.2,1.67,;-.39,2.97,;-1.11,4.33,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C15H19N5O/c1-21-15-3-2-12(8-16-15)13-9-20(18-17-13)14-10-19-6-4-11(14)5-7-19/h2-3,8-9,11,14H,4-7,10H2,1H3/t14-/m0/s1 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| PC cid
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| Article
PubMed
| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500429
(CHEMBL3745951)Show SMILES COc1ccccc1-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:13.14,(1.81,3.95,;1.15,2.91,;-.39,2.97,;-1.11,4.33,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,;-1.2,1.67,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C16H20N4O/c1-21-16-5-3-2-4-13(16)14-10-20(18-17-14)15-11-19-8-6-12(15)7-9-19/h2-5,10,12,15H,6-9,11H2,1H3/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500410
(CHEMBL3745799)Show SMILES Fc1ccc(cc1)-c1cn(nn1)[C@@H]1CN2CCC1CC2 |r,wU:12.13,(-3.22,5.47,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C15H17FN4/c16-13-3-1-11(2-4-13)14-9-20(18-17-14)15-10-19-7-5-12(15)6-8-19/h1-4,9,12,15H,5-8,10H2/t15-/m1/s1 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| PC cid
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UniChem
| Article
PubMed
| 114 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500426
(CHEMBL3746342)Show SMILES OCCc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:14.15,(-5.49,6.89,;-4.91,5.8,;-3.37,5.75,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C17H22N4O/c22-10-7-13-1-3-14(4-2-13)16-11-21(19-18-16)17-12-20-8-5-15(17)6-9-20/h1-4,11,15,17,22H,5-10,12H2/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500412
(CHEMBL3746710)Show SMILES C1CN2CCC1[C@H](C2)n1cc(nn1)-c1ccncc1 |r,wD:6.9,(5.21,-2.38,;5.21,-4.01,;3.81,-4.83,;4.33,-3.38,;3.26,-2.74,;3.81,-1.57,;2.43,-2.41,;2.41,-4.03,;1.05,-1.6,;.92,-.08,;-.59,.25,;-1.37,-1.07,;-.35,-2.23,;-1.2,1.67,;-.39,2.97,;-1.11,4.33,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,)| Show InChI InChI=1S/C14H17N5/c1-5-15-6-2-11(1)13-9-19(17-16-13)14-10-18-7-3-12(14)4-8-18/h1-2,5-6,9,12,14H,3-4,7-8,10H2/t14-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 141 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500418
(CHEMBL3746699)Show SMILES FC1(CN2CCC1CC2)c1cn(nn1)-c1ccc(Br)cc1 |THB:0:1:5.4:7.8,9:1:5.4:7.8,(1.3,.14,;.25,-.49,;1.76,-2.89,;-.88,-3.54,;.22,-2.89,;.22,-1.61,;-.88,-.99,;-1.97,-1.61,;-1.97,-2.89,;-1.1,.29,;-2.49,-.34,;-3.52,.81,;-2.74,2.14,;-1.23,1.81,;-5.05,.66,;-5.79,-.69,;-7.33,-.73,;-8.13,.58,;-9.37,.55,;-7.39,1.94,;-5.85,1.98,)| Show InChI InChI=1S/C15H16BrFN4/c16-12-1-3-13(4-2-12)21-9-14(18-19-21)15(17)10-20-7-5-11(15)6-8-20/h1-4,9,11H,5-8,10H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500416
(CHEMBL3747684)Show SMILES FCCOc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:15.16,(-6.86,7.21,;-5.63,7.16,;-4.91,5.8,;-3.37,5.75,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C17H21FN4O/c18-7-10-23-15-3-1-13(2-4-15)16-11-22(20-19-16)17-12-21-8-5-14(17)6-9-21/h1-4,11,14,17H,5-10,12H2/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500430
(CHEMBL3746355)Show SMILES COc1ccc2cc(ccc2c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:17.19,(4,-2.78,;4,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;-4.02,1.55,;-5.41,.92,;-6.44,2.07,;-5.66,3.4,;-4.15,3.07,;-7.98,1.92,;-8.78,3.32,;-10.4,3.29,;-11.18,1.87,;-10.35,.47,;-8.73,.49,;-8.85,1.78,;-10.11,1.78,)| Show InChI InChI=1S/C20H22N4O/c1-25-18-5-4-15-10-17(3-2-16(15)11-18)19-12-24(22-21-19)20-13-23-8-6-14(20)7-9-23/h2-5,10-12,14,20H,6-9,13H2,1H3/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 196 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500415
(CHEMBL3747537)Show SMILES OCCOc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:15.16,(-6.86,7.21,;-5.63,7.16,;-4.91,5.8,;-3.37,5.75,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C17H22N4O2/c22-9-10-23-15-3-1-13(2-4-15)16-11-21(19-18-16)17-12-20-7-5-14(17)6-8-20/h1-4,11,14,17,22H,5-10,12H2/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 215 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500423
(CHEMBL3747289)Show SMILES COCOCCOc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:18.19,(-10.01,9.72,;-9.44,8.63,;-7.9,8.58,;-7.17,7.22,;-5.63,7.16,;-4.91,5.8,;-3.37,5.75,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C19H26N4O3/c1-24-14-25-10-11-26-17-4-2-15(3-5-17)18-12-23(21-20-18)19-13-22-8-6-16(19)7-9-22/h2-5,12,16,19H,6-11,13-14H2,1H3/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 225 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500424
(CHEMBL3746314)Show SMILES FCCc1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:14.15,(-5.49,6.89,;-4.91,5.8,;-3.37,5.75,;-2.65,4.39,;-1.11,4.33,;-.39,2.97,;-1.2,1.67,;-2.75,1.72,;-3.47,3.08,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C17H21FN4/c18-8-5-13-1-3-14(4-2-13)16-11-22(20-19-16)17-12-21-9-6-15(17)7-10-21/h1-4,11,15,17H,5-10,12H2/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500431
(CHEMBL3746362)Show SMILES Fc1ccc(cn1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:12.13,(-3.22,5.47,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,;-1.2,1.67,;-.39,2.97,;-1.11,4.33,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C14H16FN5/c15-14-2-1-11(7-16-14)12-8-20(18-17-12)13-9-19-5-3-10(13)4-6-19/h1-2,7-8,10,13H,3-6,9H2/t13-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 469 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50500407
(CHEMBL3746799)Show SMILES C1CN2CCC1C(C2)n1cc(nn1)-c1ccc2[nH]ccc2c1 |(5.21,-2.38,;5.21,-4.01,;3.81,-4.82,;4.33,-3.38,;3.26,-2.73,;3.81,-1.57,;2.43,-2.41,;2.41,-4.02,;1.04,-1.6,;-.33,-2.26,;-1.38,-1.13,;-.63,.22,;.88,-.08,;-2.91,-1.31,;-3.61,-2.67,;-5.16,-2.76,;-5.99,-1.45,;-7.5,-1.2,;-7.73,.32,;-6.37,.99,;-5.29,-.09,;-3.75,.01,)| Show InChI InChI=1S/C17H19N5/c1-2-15-14(3-6-18-15)9-13(1)16-10-22(20-19-16)17-11-21-7-4-12(17)5-8-21/h1-3,6,9-10,12,17-18H,4-5,7-8,11H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [3H]cytisine from human recombinant alpha4beta2 nicotinic receptor expressed in SH-SY5Y cells after 120 mins by scintillation countin... |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50500421
(CHEMBL3747344)Show SMILES C1CN2CCC1[C@H](C2)n1cc(nn1)-c1ccc2occc2c1 |r,wD:6.9,(5.21,-2.38,;5.21,-4.01,;3.81,-4.82,;4.33,-3.38,;3.26,-2.73,;3.81,-1.57,;2.43,-2.41,;2.41,-4.02,;1.04,-1.6,;.91,-.08,;-.59,.25,;-1.37,-1.07,;-.35,-2.22,;-1.2,1.67,;-.38,2.96,;-1.1,4.34,;-2.64,4.39,;-3.62,5.57,;-5.05,4.99,;-4.95,3.48,;-3.46,3.1,;-2.76,1.72,)| Show InChI InChI=1S/C17H18N4O/c1-2-17-14(5-8-22-17)9-13(1)15-10-21(19-18-15)16-11-20-6-3-12(16)4-7-20/h1-2,5,8-10,12,16H,3-4,6-7,11H2/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [3H]cytisine from human recombinant alpha4beta2 nicotinic receptor expressed in SH-SY5Y cells after 120 mins by scintillation countin... |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500435
(CHEMBL3746138)Show SMILES OC1(CN2CCC1CC2)c1cn(nn1)-c1ccc(Br)cc1 |THB:0:1:5.4:7.8,9:1:5.4:7.8,(1.3,.14,;.25,-.49,;1.76,-2.89,;-.88,-3.54,;.22,-2.89,;.22,-1.61,;-.88,-.99,;-1.97,-1.61,;-1.97,-2.89,;-1.1,.29,;-2.49,-.34,;-3.52,.81,;-2.74,2.14,;-1.23,1.81,;-5.05,.66,;-5.79,-.69,;-7.33,-.73,;-8.13,.58,;-9.37,.55,;-7.39,1.94,;-5.85,1.98,)| Show InChI InChI=1S/C15H17BrN4O/c16-12-1-3-13(4-2-12)20-9-14(17-18-20)15(21)10-19-7-5-11(15)6-8-19/h1-4,9,11,21H,5-8,10H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50500406
(CHEMBL3746146)Show SMILES COc1cccc(c1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wD:13.14,(-.87,6.72,;-.29,5.63,;-1.11,4.33,;-2.65,4.39,;-3.47,3.08,;-2.75,1.72,;-1.2,1.67,;-.39,2.97,;-.59,.25,;.92,-.08,;1.05,-1.6,;-.35,-2.23,;-1.37,-1.07,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,)| Show InChI InChI=1S/C16H20N4O/c1-21-14-4-2-3-13(9-14)15-10-20(18-17-15)16-11-19-7-5-12(16)6-8-19/h2-4,9-10,12,16H,5-8,11H2,1H3/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [3H]cytisine from human recombinant alpha4beta2 nicotinic receptor expressed in SH-SY5Y cells after 120 mins by scintillation countin... |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500419
(CHEMBL3746181)Show SMILES COc1ccc(cc1)-n1cc(nn1)C1(F)CN2CCC1CC2 |THB:14:13:18.17:20.21,10:13:18.17:20.21,(-10.3,1.6,;-9.66,.55,;-8.12,.58,;-7.32,-.73,;-5.78,-.69,;-5.04,.66,;-5.84,1.97,;-7.38,1.94,;-3.51,.81,;-2.48,-.34,;-1.09,.29,;-1.23,1.81,;-2.73,2.14,;.25,-.49,;1.3,.14,;1.76,-2.89,;-.88,-3.53,;.22,-2.89,;.22,-1.61,;-.88,-.99,;-1.96,-1.61,;-1.96,-2.89,)| Show InChI InChI=1S/C16H19FN4O/c1-22-14-4-2-13(3-5-14)21-10-15(18-19-21)16(17)11-20-8-6-12(16)7-9-20/h2-5,10,12H,6-9,11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500405
(CHEMBL3746004)Show SMILES COc1ccc(cc1)-n1cc(nn1)C1(O)CN2CCC1CC2 |THB:14:13:18.17:20.21,10:13:18.17:20.21,(-10.3,1.6,;-9.66,.55,;-8.12,.58,;-7.32,-.73,;-5.78,-.69,;-5.04,.66,;-5.84,1.97,;-7.38,1.94,;-3.51,.81,;-2.48,-.34,;-1.09,.29,;-1.23,1.81,;-2.73,2.14,;.25,-.49,;1.3,.14,;1.76,-2.89,;-.88,-3.53,;.22,-2.89,;.22,-1.61,;-.88,-.99,;-1.96,-1.61,;-1.96,-2.89,)| Show InChI InChI=1S/C16H20N4O2/c1-22-14-4-2-13(3-5-14)20-10-15(17-18-20)16(21)11-19-8-6-12(16)7-9-19/h2-5,10,12,21H,6-9,11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50500407
(CHEMBL3746799)Show SMILES C1CN2CCC1C(C2)n1cc(nn1)-c1ccc2[nH]ccc2c1 |(5.21,-2.38,;5.21,-4.01,;3.81,-4.82,;4.33,-3.38,;3.26,-2.73,;3.81,-1.57,;2.43,-2.41,;2.41,-4.02,;1.04,-1.6,;-.33,-2.26,;-1.38,-1.13,;-.63,.22,;.88,-.08,;-2.91,-1.31,;-3.61,-2.67,;-5.16,-2.76,;-5.99,-1.45,;-7.5,-1.2,;-7.73,.32,;-6.37,.99,;-5.29,-.09,;-3.75,.01,)| Show InChI InChI=1S/C17H19N5/c1-2-15-14(3-6-18-15)9-13(1)16-10-22(20-19-16)17-11-21-7-4-12(17)5-8-21/h1-3,6,9-10,12,17-18H,4-5,7-8,11H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a |
Universite Orleans
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices |
Eur J Med Chem 107: 153-64 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.001
BindingDB Entry DOI: 10.7270/Q2TF01CW |
More data for this
Ligand-Target Pair | |
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