Found 1260 hits with Last Name = 'gopalakrishnan' and Initial = 'm' 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)) | BDBM50364856
(CHEMBL1950167)Show SMILES O=S1(=O)c2ccccc2-c2ccc(cc12)N1CCN2CCC1CC2 |(9.73,-11.78,;8.95,-13.11,;8.19,-11.77,;7.7,-14.01,;6.2,-13.68,;5.16,-14.83,;5.64,-16.29,;7.13,-16.62,;8.17,-15.48,;9.71,-15.48,;10.72,-16.64,;12.24,-16.34,;12.73,-14.89,;11.72,-13.72,;10.21,-14.03,;14.25,-14.59,;15.21,-15.86,;16.72,-15.87,;17.72,-14.73,;17.48,-13.28,;16.07,-12.5,;14.65,-13.09,;15.41,-14.42,;16.75,-13.64,)| Show InChI InChI=1S/C19H20N2O2S/c22-24(23)18-4-2-1-3-16(18)17-6-5-15(13-19(17)24)21-12-11-20-9-7-14(21)8-10-20/h1-6,13-14H,7-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 22: 1633-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.126 BindingDB Entry DOI: 10.7270/Q2D21Z2W |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484591
(CHEMBL1939308)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cccc(I)c1 |r| Show InChI InChI=1S/C18H19IN4O/c19-15-2-1-3-16(5-15)22-18(24)12-4-17(9-21-6-12)23-10-13-7-20-8-14(13)11-23/h1-6,9,13-14,20H,7-8,10-11H2,(H,22,24)/t13-,14+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0245 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484591
(CHEMBL1939308)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cccc(I)c1 |r| Show InChI InChI=1S/C18H19IN4O/c19-15-2-1-3-16(5-15)22-18(24)12-4-17(9-21-6-12)23-10-13-7-20-8-14(13)11-23/h1-6,9,13-14,20H,7-8,10-11H2,(H,22,24)/t13-,14+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484594
(CHEMBL1939314)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C18H18F2N4O/c19-14-2-15(20)4-16(3-14)23-18(25)11-1-17(8-22-5-11)24-9-12-6-21-7-13(12)10-24/h1-5,8,12-13,21H,6-7,9-10H2,(H,23,25)/t12-,13+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0389 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484594
(CHEMBL1939314)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C18H18F2N4O/c19-14-2-15(20)4-16(3-14)23-18(25)11-1-17(8-22-5-11)24-9-12-6-21-7-13(12)10-24/h1-5,8,12-13,21H,6-7,9-10H2,(H,23,25)/t12-,13+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)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 | UniProtKB/TrEMBL
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| Purchase
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Similars
| Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
Neuropharmacology 35: 725-34 (1996)
Article DOI: 10.1016/0028-3908(96)84644-2 BindingDB Entry DOI: 10.7270/Q237777N |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50049750
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1 | PDB
KEGG
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Patents
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| Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
Neuropharmacology 35: 725-34 (1996)
Article DOI: 10.1016/0028-3908(96)84644-2 BindingDB Entry DOI: 10.7270/Q237777N |
More data for this Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50049750
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1 | UniProtKB/TrEMBL
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
Neuropharmacology 35: 725-34 (1996)
Article DOI: 10.1016/0028-3908(96)84644-2 BindingDB Entry DOI: 10.7270/Q237777N |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
Neuropharmacology 35: 725-34 (1996)
Article DOI: 10.1016/0028-3908(96)84644-2 BindingDB Entry DOI: 10.7270/Q237777N |
More data for this Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50049750
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1 | UniProtKB/TrEMBL
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
Neuropharmacology 35: 725-34 (1996)
Article DOI: 10.1016/0028-3908(96)84644-2 BindingDB Entry DOI: 10.7270/Q237777N |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
Neuropharmacology 35: 725-34 (1996)
Article DOI: 10.1016/0028-3908(96)84644-2 BindingDB Entry DOI: 10.7270/Q237777N |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50319933
((1S,4S)-2,2-dimethyl-5-(6-phenylpyridazin-3-yl)-5-...)Show SMILES C[N+]1(C)C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C17H21N4/c1-21(2)12-14-10-15(21)11-20(14)17-9-8-16(18-19-17)13-6-4-3-5-7-13/h3-9,14-15H,10-12H2,1-2H3/q+1/t14-,15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Park
Curated by ChEMBL
| Assay Description Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate |
Bioorg Med Chem Lett 20: 3636-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 276: 289-97 (1996)
BindingDB Entry DOI: 10.7270/Q2GM85T1 |
More data for this Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)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 | UniProtKB/TrEMBL
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
Neuropharmacology 35: 725-34 (1996)
Article DOI: 10.1016/0028-3908(96)84644-2 BindingDB Entry DOI: 10.7270/Q237777N |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50364875
(CHEMBL1950156)Show SMILES CN1C[C@H]2CN(C[C@@H]12)c1ccc2-c3ccc(cc3C(=O)c2c1)N1C[C@@H]2CN(C)[C@@H]2C1 |r| Show InChI InChI=1S/C25H28N4O/c1-26-9-15-11-28(13-23(15)26)17-3-5-19-20-6-4-18(8-22(20)25(30)21(19)7-17)29-12-16-10-27(2)24(16)14-29/h3-8,15-16,23-24H,9-14H2,1-2H3/t15-,16-,23+,24+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 22: 1633-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.126 BindingDB Entry DOI: 10.7270/Q2D21Z2W |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484593
(CHEMBL1939311)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cccc(C)c1 |r| Show InChI InChI=1S/C19H22N4O/c1-13-3-2-4-17(5-13)22-19(24)14-6-18(10-21-7-14)23-11-15-8-20-9-16(15)12-23/h2-7,10,15-16,20H,8-9,11-12H2,1H3,(H,22,24)/t15-,16+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0955 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484593
(CHEMBL1939311)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cccc(C)c1 |r| Show InChI InChI=1S/C19H22N4O/c1-13-3-2-4-17(5-13)22-19(24)14-6-18(10-21-7-14)23-11-15-8-20-9-16(15)12-23/h2-7,10,15-16,20H,8-9,11-12H2,1H3,(H,22,24)/t15-,16+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50279369
(CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...)Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+ | PDB MMDB
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UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50279369
(CHEMBL460562 | cis-2-(3-Pyridinyl)octahydropyrrolo...)Show InChI InChI=1S/C11H15N3/c1-2-11(6-12-3-1)14-7-9-4-13-5-10(9)8-14/h1-3,6,9-10,13H,4-5,7-8H2/t9-,10+ | PDB MMDB
KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484597
(CHEMBL1939310)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H19ClN4O/c19-15-1-3-16(4-2-15)22-18(24)12-5-17(9-21-6-12)23-10-13-7-20-8-14(13)11-23/h1-6,9,13-14,20H,7-8,10-11H2,(H,22,24)/t13-,14+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484597
(CHEMBL1939310)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H19ClN4O/c19-15-1-3-16(4-2-15)22-18(24)12-5-17(9-21-6-12)23-10-13-7-20-8-14(13)11-23/h1-6,9,13-14,20H,7-8,10-11H2,(H,22,24)/t13-,14+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50319928
((1R,4R)-2-(6-chloropyridazin-3-yl)-2,5-diazabicycl...)Show InChI InChI=1S/C9H11ClN4/c10-8-1-2-9(13-12-8)14-5-6-3-7(14)4-11-6/h1-2,6-7,11H,3-5H2/t6-,7-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Park
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from alpha4beta2 nACHR in rat brain homogenate |
Bioorg Med Chem Lett 20: 3636-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50319964
(5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...)Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C19H20N4/c1-22-11-17-9-16(22)12-23(17)19-5-3-15(10-21-19)13-2-4-18-14(8-13)6-7-20-18/h2-8,10,16-17,20H,9,11-12H2,1H3/t16-,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Park
Curated by ChEMBL
| Assay Description Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate |
Bioorg Med Chem Lett 20: 3636-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM27210
((2R)-N,3-dimethyl-2-(methylamino)-N-[(1R,2S,5S,6S,...)Show SMILES [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)[C@H](NC)C(C)C)[C@]2([H])CC[C@]13[H] |r,t:14| Show InChI InChI=1S/C29H49N3O/c1-18(2)26(30-5)27(33)32(7)21-12-14-28(4)20(16-21)8-9-22-24(28)13-15-29-17-31(6)19(3)23(29)10-11-25(22)29/h8,18-19,21-26,30H,9-17H2,1-7H3/t19-,21-,22+,23+,24-,25-,26+,28-,29-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.210 | -55.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Abbott Laboratories
| Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac... |
J Med Chem 51: 5423-30 (2008)
Article DOI: 10.1021/jm8003625 BindingDB Entry DOI: 10.7270/Q21G0JK0 |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM27208
((2S,3S)-2-amino-N,3-dimethyl-N-[(1R,2S,5S,6S,9R,12...)Show SMILES [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)[C@@H](N)[C@@H](C)CC)[C@]2([H])CC[C@]13[H] |r,t:14| Show InChI InChI=1S/C29H49N3O/c1-7-18(2)26(30)27(33)32(6)21-12-14-28(4)20(16-21)8-9-22-24(28)13-15-29-17-31(5)19(3)23(29)10-11-25(22)29/h8,18-19,21-26H,7,9-17,30H2,1-6H3/t18-,19-,21-,22+,23+,24-,25-,26-,28-,29-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.220 | -55.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Abbott Laboratories
| Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac... |
J Med Chem 51: 5423-30 (2008)
Article DOI: 10.1021/jm8003625 BindingDB Entry DOI: 10.7270/Q21G0JK0 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50364879
(CHEMBL1950160)Show SMILES O=C1c2ccccc2-c2ccc(cc12)N1CCN2CCC1CC2 |(21.84,6.38,;21.84,4.83,;20.58,3.93,;19.08,4.26,;18.04,3.11,;18.53,1.65,;20.02,1.33,;21.06,2.47,;22.59,2.47,;23.61,1.31,;25.12,1.6,;25.62,3.06,;24.61,4.22,;23.09,3.92,;27.13,3.35,;28.09,2.08,;29.6,2.07,;30.61,3.21,;30.36,4.67,;28.96,5.44,;27.53,4.85,;28.3,3.52,;29.63,4.3,)| Show InChI InChI=1S/C20H20N2O/c23-20-18-4-2-1-3-16(18)17-6-5-15(13-19(17)20)22-12-11-21-9-7-14(22)8-10-21/h1-6,13-14H,7-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 22: 1633-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.126 BindingDB Entry DOI: 10.7270/Q2D21Z2W |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484589
(CHEMBL1939305)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)N1CCc2ccccc2C1 |r| Show InChI InChI=1S/C21H24N4O/c26-21(24-6-5-15-3-1-2-4-16(15)12-24)17-7-20(11-23-8-17)25-13-18-9-22-10-19(18)14-25/h1-4,7-8,11,18-19,22H,5-6,9-10,12-14H2/t18-,19+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484622
(CHEMBL1939313)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cc(OC)cc(OC)c1 |r| Show InChI InChI=1S/C20H24N4O3/c1-26-18-4-16(5-19(6-18)27-2)23-20(25)13-3-17(10-22-7-13)24-11-14-8-21-9-15(14)12-24/h3-7,10,14-15,21H,8-9,11-12H2,1-2H3,(H,23,25)/t14-,15+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.295 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484589
(CHEMBL1939305)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)N1CCc2ccccc2C1 |r| Show InChI InChI=1S/C21H24N4O/c26-21(24-6-5-15-3-1-2-4-16(15)12-24)17-7-20(11-23-8-17)25-13-18-9-22-10-19(18)14-25/h1-4,7-8,11,18-19,22H,5-6,9-10,12-14H2/t18-,19+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484622
(CHEMBL1939313)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cc(OC)cc(OC)c1 |r| Show InChI InChI=1S/C20H24N4O3/c1-26-18-4-16(5-19(6-18)27-2)23-20(25)13-3-17(10-22-7-13)24-11-14-8-21-9-15(14)12-24/h3-7,10,14-15,21H,8-9,11-12H2,1-2H3,(H,23,25)/t14-,15+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50319963
(5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...)Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2[nH]ncc2c1 |r| Show InChI InChI=1S/C18H19N5/c1-22-10-16-7-15(22)11-23(16)18-5-3-13(8-19-18)12-2-4-17-14(6-12)9-20-21-17/h2-6,8-9,15-16H,7,10-11H2,1H3,(H,20,21)/t15-,16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Park
Curated by ChEMBL
| Assay Description Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate |
Bioorg Med Chem Lett 20: 3636-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50319944
(2-methyl-5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2...)Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2[nH]c(C)cc2c1 |r| Show InChI InChI=1S/C19H21N5/c1-12-7-14-8-13(3-4-17(14)20-12)18-5-6-19(22-21-18)24-11-15-9-16(24)10-23(15)2/h3-8,15-16,20H,9-11H2,1-2H3/t15-,16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Park
Curated by ChEMBL
| Assay Description Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate |
Bioorg Med Chem Lett 20: 3636-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50364874
(CHEMBL1950155)Show SMILES O=C1c2cc(ccc2-c2ccc(cc12)N1CC2CNCC2C1)N1CC2CNCC2C1 Show InChI InChI=1S/C25H28N4O/c30-25-23-5-19(28-11-15-7-26-8-16(15)12-28)1-3-21(23)22-4-2-20(6-24(22)25)29-13-17-9-27-10-18(17)14-29/h1-6,15-18,26-27H,7-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 22: 1633-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.126 BindingDB Entry DOI: 10.7270/Q2D21Z2W |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484595
(CHEMBL1939280)Show InChI InChI=1S/C11H15N3/c1-2-10(6-12-4-1)14-7-9-3-5-13-11(9)8-14/h1-2,4,6,9,11,13H,3,5,7-8H2/t9-,11+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.339 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484623
(CHEMBL1939312)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cc(C)cc(C)c1 |r| Show InChI InChI=1S/C20H24N4O/c1-13-3-14(2)5-18(4-13)23-20(25)15-6-19(10-22-7-15)24-11-16-8-21-9-17(16)12-24/h3-7,10,16-17,21H,8-9,11-12H2,1-2H3,(H,23,25)/t16-,17+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.339 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484623
(CHEMBL1939312)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cc(C)cc(C)c1 |r| Show InChI InChI=1S/C20H24N4O/c1-13-3-14(2)5-18(4-13)23-20(25)15-6-19(10-22-7-15)24-11-16-8-21-9-17(16)12-24/h3-7,10,16-17,21H,8-9,11-12H2,1-2H3,(H,23,25)/t16-,17+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.339 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484595
(CHEMBL1939280)Show InChI InChI=1S/C11H15N3/c1-2-10(6-12-4-1)14-7-9-3-5-13-11(9)8-14/h1-2,4,6,9,11,13H,3,5,7-8H2/t9-,11+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM27209
((2R,3R)-2-amino-N,3-dimethyl-N-[(1R,2S,5S,6S,9R,12...)Show SMILES [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)[C@H](N)[C@H](C)CC)[C@]2([H])CC[C@]13[H] |r,t:14| Show InChI InChI=1S/C29H49N3O/c1-7-18(2)26(30)27(33)32(6)21-12-14-28(4)20(16-21)8-9-22-24(28)13-15-29-17-31(5)19(3)23(29)10-11-25(22)29/h8,18-19,21-26H,7,9-17,30H2,1-6H3/t18-,19+,21+,22-,23-,24+,25+,26-,28+,29+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.370 | -53.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Abbott Laboratories
| Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac... |
J Med Chem 51: 5423-30 (2008)
Article DOI: 10.1021/jm8003625 BindingDB Entry DOI: 10.7270/Q21G0JK0 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50319940
(5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept...)Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C18H19N5/c1-22-10-15-9-14(22)11-23(15)18-5-4-17(20-21-18)12-2-3-16-13(8-12)6-7-19-16/h2-8,14-15,19H,9-11H2,1H3/t14-,15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Park
Curated by ChEMBL
| Assay Description Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate |
Bioorg Med Chem Lett 20: 3636-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50107863
((-)-cytisine | (1R,9R)-7,11-diazatricyclo[7.3.1.0~...)Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 276: 289-97 (1996)
BindingDB Entry DOI: 10.7270/Q2GM85T1 |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM27208
((2S,3S)-2-amino-N,3-dimethyl-N-[(1R,2S,5S,6S,9R,12...)Show SMILES [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)[C@@H](N)[C@@H](C)CC)[C@]2([H])CC[C@]13[H] |r,t:14| Show InChI InChI=1S/C29H49N3O/c1-7-18(2)26(30)27(33)32(6)21-12-14-28(4)20(16-21)8-9-22-24(28)13-15-29-17-31(5)19(3)23(29)10-11-25(22)29/h8,18-19,21-26H,7,9-17,30H2,1-6H3/t18-,19-,21-,22+,23+,24-,25-,26-,28-,29-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac... |
J Med Chem 51: 5423-30 (2008)
Article DOI: 10.1021/jm8003625 BindingDB Entry DOI: 10.7270/Q21G0JK0 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50319962
((1S,4S)-2-(5-(benzo[b]thiophen-5-yl)pyridin-2-yl)-...)Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cn1)-c1ccc2sccc2c1 |r| Show InChI InChI=1S/C19H19N3S/c1-21-11-17-9-16(21)12-22(17)19-5-3-15(10-20-19)13-2-4-18-14(8-13)6-7-23-18/h2-8,10,16-17H,9,11-12H2,1H3/t16-,17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Park
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp |
Bioorg Med Chem Lett 20: 3636-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50023330
(1-(9-Aza-bicyclo[4.2.1]non-2-en-2-yl)-ethanone | 1...)Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 276: 289-97 (1996)
BindingDB Entry DOI: 10.7270/Q2GM85T1 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50319955
((1S,4S)-2-(5-(benzo[b]thiophen-5-yl)pyrimidin-2-yl...)Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ncc(cn1)-c1ccc2sccc2c1 |r| Show InChI InChI=1S/C18H18N4S/c1-21-10-16-7-15(21)11-22(16)18-19-8-14(9-20-18)12-2-3-17-13(6-12)4-5-23-17/h2-6,8-9,15-16H,7,10-11H2,1H3/t15-,16-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Park
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp |
Bioorg Med Chem Lett 20: 3636-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.105 BindingDB Entry DOI: 10.7270/Q2MC905N |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50364869
(CHEMBL1950150)Show SMILES O=C1c2cc(O[C@H]3CN4CCC3CC4)ccc2-c2ccc(O[C@H]3CN4CCC3CC4)cc12 |r,wD:6.5,22.24,(11.17,-6.37,;11.16,-7.92,;9.89,-8.83,;8.39,-8.51,;7.36,-9.65,;5.91,-9.1,;4.69,-9.8,;3.47,-9.08,;2.24,-9.77,;2.23,-11.2,;3.45,-11.92,;4.69,-11.22,;3.86,-10.06,;3.3,-11.36,;7.82,-11.13,;9.34,-11.46,;10.37,-10.31,;11.93,-10.32,;12.96,-11.48,;14.48,-11.15,;14.96,-9.67,;16.37,-9.47,;17.24,-10.58,;16.71,-11.89,;17.59,-13,;18.99,-12.8,;19.52,-11.48,;18.64,-10.37,;17.63,-11.36,;18.99,-11.72,;13.93,-8.53,;12.42,-8.83,)| Show InChI InChI=1S/C27H30N2O3/c30-27-23-13-19(31-25-15-28-9-5-17(25)6-10-28)1-3-21(23)22-4-2-20(14-24(22)27)32-26-16-29-11-7-18(26)8-12-29/h1-4,13-14,17-18,25-26H,5-12,15-16H2/t25-,26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 22: 1633-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.126 BindingDB Entry DOI: 10.7270/Q2D21Z2W |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM27213
(4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...)Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac... |
J Med Chem 51: 5423-30 (2008)
Article DOI: 10.1021/jm8003625 BindingDB Entry DOI: 10.7270/Q21G0JK0 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50364889
(CHEMBL1950172)Show InChI InChI=1S/C20H21N3O/c1-22-8-12-10-23(11-13(12)9-22)15-3-5-17-16-4-2-14(21)6-18(16)20(24)19(17)7-15/h2-7,12-13H,8-11,21H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain |
Bioorg Med Chem Lett 22: 1633-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.126 BindingDB Entry DOI: 10.7270/Q2D21Z2W |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484621
(CHEMBL1939295)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(n1)C(=O)Nc1cccc(Cl)c1 |r| Show InChI InChI=1S/C17H18ClN5O/c18-13-2-1-3-14(4-13)21-17(24)15-7-20-8-16(22-15)23-9-11-5-19-6-12(11)10-23/h1-4,7-8,11-12,19H,5-6,9-10H2,(H,21,24)/t11-,12+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484621
(CHEMBL1939295)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(n1)C(=O)Nc1cccc(Cl)c1 |r| Show InChI InChI=1S/C17H18ClN5O/c18-13-2-1-3-14(4-13)21-17(24)15-7-20-8-16(22-15)23-9-11-5-19-6-12(11)10-23/h1-4,7-8,11-12,19H,5-6,9-10H2,(H,21,24)/t11-,12+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.724 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50484590
(CHEMBL1939307)Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)NCCc1ccccc1F |r| Show InChI InChI=1S/C20H23FN4O/c21-19-4-2-1-3-14(19)5-6-24-20(26)15-7-18(11-23-8-15)25-12-16-9-22-10-17(16)13-25/h1-4,7-8,11,16-17,22H,5-6,9-10,12-13H2,(H,24,26)/t16-,17+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.776 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane |
J Med Chem 54: 7678-92 (2011)
Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646 |
More data for this Ligand-Target Pair | |