Found 7 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)) | BDBM50036166
(3-(pyridin-3-yl)-1-azabicyclo[2.2.2]oct-2-ene | 3-...)Show SMILES C1CN2CCC1C(=C2)c1cccnc1 |c:7,THB:8:6:4.3:0.1,(-3.23,-2.16,;-4,-3.38,;-2.35,-2.5,;-2.35,-1.13,;-1.52,-.29,;-1.51,-1.39,;.03,-2.32,;-.76,-3.46,;1.54,-2,;2.57,-3.14,;4.08,-2.83,;4.56,-1.36,;3.52,-.21,;2.01,-.52,)| Show InChI InChI=1S/C12H14N2/c1-2-11(8-13-5-1)12-9-14-6-3-10(12)4-7-14/h1-2,5,8-10H,3-4,6-7H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [3H]MLA from rat alpha7 nAChR |
Bioorg Med Chem Lett 19: 6353-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.073
BindingDB Entry DOI: 10.7270/Q2T153QZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50036166
(3-(pyridin-3-yl)-1-azabicyclo[2.2.2]oct-2-ene | 3-...)Show SMILES C1CN2CCC1C(=C2)c1cccnc1 |c:7,THB:8:6:4.3:0.1,(-3.23,-2.16,;-4,-3.38,;-2.35,-2.5,;-2.35,-1.13,;-1.52,-.29,;-1.51,-1.39,;.03,-2.32,;-.76,-3.46,;1.54,-2,;2.57,-3.14,;4.08,-2.83,;4.56,-1.36,;3.52,-.21,;2.01,-.52,)| Show InChI InChI=1S/C12H14N2/c1-2-11(8-13-5-1)12-9-14-6-3-10(12)4-7-14/h1-2,5,8-10H,3-4,6-7H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR |
Bioorg Med Chem Lett 19: 6353-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.073
BindingDB Entry DOI: 10.7270/Q2T153QZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50302794
(4-(5-(quinuclidin-3-yl)pyridin-2-yl)morpholine | C...)Show SMILES C1CN(CCO1)c1ccc(cn1)C1CN2CCC1CC2 |THB:9:12:15.16:19.18,(3.32,-11.34,;2.01,-12.14,;.67,-11.41,;.61,-9.88,;1.93,-9.07,;3.28,-9.81,;-.64,-12.22,;-2,-11.49,;-3.3,-12.3,;-3.25,-13.82,;-1.91,-14.56,;-.6,-13.76,;-4.46,-14.78,;-4.16,-16.29,;-5.64,-15.6,;-7.29,-16.32,;-7.5,-14.82,;-5.92,-14.12,;-5.84,-12.35,;-5.36,-13.55,)| Show InChI InChI=1S/C16H23N3O/c1-2-16(19-7-9-20-10-8-19)17-11-14(1)15-12-18-5-3-13(15)4-6-18/h1-2,11,13,15H,3-10,12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR |
Bioorg Med Chem Lett 19: 6353-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.073
BindingDB Entry DOI: 10.7270/Q2T153QZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50302796
(4-(5-(1-azabicyclo[2.2.2]oct-2-en-3-yl)pyridin-2-y...)Show SMILES C1CN(CCO1)c1ccc(cn1)C1=CN2CCC1CC2 |t:14,THB:9:12:15.16:19.18,(20.17,.95,;18.87,.15,;17.52,.88,;17.47,2.41,;18.78,3.22,;20.14,2.48,;16.22,.07,;14.86,.8,;13.56,-.01,;13.61,-1.53,;14.95,-2.27,;16.26,-1.47,;12.4,-2.49,;12.7,-4,;11.22,-3.31,;9.56,-4.03,;9.35,-2.53,;10.94,-1.83,;11.02,-.06,;11.5,-1.26,)| Show InChI InChI=1S/C16H21N3O/c1-2-16(19-7-9-20-10-8-19)17-11-14(1)15-12-18-5-3-13(15)4-6-18/h1-2,11-13H,3-10H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR |
Bioorg Med Chem Lett 19: 6353-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.073
BindingDB Entry DOI: 10.7270/Q2T153QZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50302795
(1-methyl-3-(6-morpholinopyridin-3-yl)-1-azoniabicy...)Show SMILES C[N+]12CCC(CC1)C(=C2)c1ccc(nc1)N1CCOCC1 |c:8,THB:9:7:2.3:6.5,(7.34,-23.86,;7.58,-22.21,;5.92,-22.92,;5.71,-21.43,;7.3,-20.73,;7.37,-18.95,;7.86,-20.15,;8.76,-21.39,;9.07,-22.89,;9.97,-20.42,;9.92,-18.9,;11.22,-18.09,;12.58,-18.82,;12.62,-20.36,;11.32,-21.16,;13.89,-18.01,;15.24,-18.75,;16.55,-17.94,;16.51,-16.4,;15.16,-15.67,;13.84,-16.48,)| Show InChI InChI=1S/C17H24N3O/c1-20-8-4-14(5-9-20)16(13-20)15-2-3-17(18-12-15)19-6-10-21-11-7-19/h2-3,12-14H,4-11H2,1H3/q+1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR |
Bioorg Med Chem Lett 19: 6353-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.073
BindingDB Entry DOI: 10.7270/Q2T153QZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50302793
(1-methyl-3-(6-morpholinopyridin-3-yl)-1-azoniabicy...)Show SMILES C[N+]12CCC(CC1)C(C2)c1ccc(nc1)N1CCOCC1 |THB:9:7:2.3:6.5,(7.34,-23.87,;7.59,-22.23,;5.92,-22.94,;5.71,-21.44,;7.3,-20.74,;7.38,-18.97,;7.86,-20.17,;8.77,-21.4,;9.06,-22.91,;9.97,-20.44,;9.92,-18.91,;11.23,-18.11,;12.59,-18.84,;12.63,-20.38,;11.32,-21.18,;13.9,-18.03,;15.25,-18.76,;16.56,-17.96,;16.52,-16.42,;15.17,-15.68,;13.85,-16.49,)| Show InChI InChI=1S/C17H26N3O/c1-20-8-4-14(5-9-20)16(13-20)15-2-3-17(18-12-15)19-6-10-21-11-7-19/h2-3,12,14,16H,4-11,13H2,1H3/q+1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR |
Bioorg Med Chem Lett 19: 6353-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.073
BindingDB Entry DOI: 10.7270/Q2T153QZ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50302797
(4-(5-(7-azabicyclo[2.2.1]hept-2-en-2-yl)pyridin-2-...)Show SMILES C1CC2NC1C=C2c1ccc(nc1)N1CCOCC1 |c:6,THB:7:6:0.1:3| Show InChI InChI=1S/C15H19N3O/c1-4-15(18-5-7-19-8-6-18)16-10-11(1)13-9-12-2-3-14(13)17-12/h1,4,9-10,12,14,17H,2-3,5-8H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR |
Bioorg Med Chem Lett 19: 6353-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.073
BindingDB Entry DOI: 10.7270/Q2T153QZ |
More data for this
Ligand-Target Pair | |
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