Found 409 hits with Last Name = 'kozak' and Initial = 'r' 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-4/beta-2
(Homo sapiens (Human)) | BDBM50166908
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.295 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50465935
(CHEMBL4277264)Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)| Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Agonist activity at dopamine D5 receptor (unknown origin) |
J Med Chem 61: 11384-11397 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50465945
(CHEMBL4279267)Show SMILES Cc1ccc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C |(71.15,-35.83,;71.14,-34.29,;72.47,-33.52,;72.46,-31.97,;71.11,-31.22,;70.79,-29.72,;69.26,-29.56,;68.64,-30.97,;69.79,-31.99,;69.81,-33.53,;68.49,-34.3,;68.49,-35.85,;67.16,-36.62,;65.83,-35.85,;64.5,-36.63,;64.5,-38.17,;65.83,-38.93,;65.84,-40.47,;64.51,-41.24,;63.17,-40.47,;61.71,-40.95,;60.8,-39.72,;61.7,-38.47,;63.17,-38.94,;65.82,-34.31,;67.14,-33.54,;67.13,-32,)| Show InChI InChI=1S/C22H17N3O2/c1-14-3-6-20-23-10-11-25(20)21(14)17-5-4-16(13-15(17)2)27-22-18-8-12-26-19(18)7-9-24-22/h3-13H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting |
J Med Chem 61: 11384-11397 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50465944
(CHEMBL4286177)Show InChI InChI=1S/C21H15N3O2/c1-14-2-7-19-22-11-12-24(19)20(14)15-3-5-16(6-4-15)26-21-17-9-13-25-18(17)8-10-23-21/h2-13H,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting |
J Med Chem 61: 11384-11397 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50465935
(CHEMBL4277264)Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)| Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting |
J Med Chem 61: 11384-11397 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50465935
(CHEMBL4277264)Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)| Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting |
J Med Chem 61: 11384-11397 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 9.46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50465935
(CHEMBL4277264)Show SMILES Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)| Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 21.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting |
J Med Chem 61: 11384-11397 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50465946
(CHEMBL4294397)Show InChI InChI=1S/C21H15N3O2/c1-14-13-15(26-21-17-8-12-25-19(17)7-9-23-21)5-6-16(14)18-3-2-4-20-22-10-11-24(18)20/h2-13H,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting |
J Med Chem 61: 11384-11397 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50465943
(CHEMBL4286110)Show InChI InChI=1S/C23H16N2O3/c1-26-21-7-4-16-14-24-11-8-18(16)22(21)15-2-5-17(6-3-15)28-23-19-10-13-27-20(19)9-12-25-23/h2-14H,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting |
J Med Chem 61: 11384-11397 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50465938
(CHEMBL4294009)Show InChI InChI=1S/C20H13N3O2/c1-2-17(23-12-11-21-19(23)3-1)14-4-6-15(7-5-14)25-20-16-9-13-24-18(16)8-10-22-20/h1-13H | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting |
J Med Chem 61: 11384-11397 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50465934
(CHEMBL4293757)Show SMILES Cc1cnn(c1-c1ccc(Oc2nccc3occc23)cc1C)C(C)(C)C |(32.4,-13.64,;33.56,-14.66,;35.05,-14.32,;35.84,-15.64,;34.83,-16.8,;33.41,-16.19,;32.09,-16.97,;32.1,-18.51,;30.77,-19.28,;29.43,-18.52,;28.1,-19.29,;28.11,-20.83,;29.44,-21.59,;29.45,-23.14,;28.11,-23.91,;26.78,-23.14,;25.32,-23.62,;24.41,-22.38,;25.3,-21.13,;26.78,-21.6,;29.42,-16.98,;30.75,-16.21,;30.74,-14.67,;35.16,-18.3,;36.64,-18.76,;34.03,-19.35,;35.6,-19.8,)| Show InChI InChI=1S/C22H23N3O2/c1-14-12-16(27-21-18-9-11-26-19(18)8-10-23-21)6-7-17(14)20-15(2)13-24-25(20)22(3,4)5/h6-13H,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting |
J Med Chem 61: 11384-11397 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50166908
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323673
((1S,6R,5S)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)Show SMILES Oc1cncc(c1)-c1ccccc1O[C@@H]1C[C@@H]2C[C@H]1CNC2 |r| Show InChI InChI=1S/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM55121
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| 243 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting |
J Med Chem 61: 11384-11397 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50465942
(CHEMBL4278861)Show SMILES Cc1nc2cnccc2n1-c1ccc(Oc2nccc3occc23)cc1C |(51.19,-1.16,;52.34,-2.18,;53.85,-1.85,;54.62,-3.18,;56.12,-3.49,;56.61,-4.94,;55.59,-6.09,;54.08,-5.78,;53.6,-4.33,;52.19,-3.72,;50.86,-4.5,;50.87,-6.05,;49.54,-6.82,;48.2,-6.05,;46.87,-6.83,;46.88,-8.37,;48.21,-9.13,;48.22,-10.67,;46.88,-11.45,;45.54,-10.68,;44.08,-11.16,;43.17,-9.92,;44.07,-8.67,;45.54,-9.14,;48.19,-4.51,;49.52,-3.74,;49.5,-2.2,)| Show InChI InChI=1S/C21H16N4O2/c1-13-11-15(27-21-16-7-10-26-20(16)6-9-23-21)3-4-18(13)25-14(2)24-17-12-22-8-5-19(17)25/h3-12H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 244 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting |
J Med Chem 61: 11384-11397 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323678
(CHEMBL1209186 | rac-exo-[6-(2-(4-Methanesulfonylam...)Show SMILES CS(=O)(=O)Nc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C19H23N3O3S/c1-26(23,24)22-17-6-7-20-12-16(17)15-4-2-3-5-18(15)25-19-9-13-8-14(19)11-21-10-13/h2-7,12-14,19,21H,8-11H2,1H3,(H,20,22)/t13-,14-,19+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323672
((1R,6S,5R)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)Show SMILES Oc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 252 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50465936
(CHEMBL4293356)Show InChI InChI=1S/C18H15N3O2/c1-12-11-13(3-4-14(12)16-5-9-20-21(16)2)23-18-15-7-10-22-17(15)6-8-19-18/h3-11H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 254 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting |
J Med Chem 61: 11384-11397 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323672
((1R,6S,5R)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)Show SMILES Oc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 255 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323670
(CHEMBL1209073 | rac-exo-[6-(2-(5-Methoxypyridin-3-...)Show SMILES COc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C19H22N2O2/c1-22-16-8-14(10-21-12-16)17-4-2-3-5-18(17)23-19-7-13-6-15(19)11-20-9-13/h2-5,8,10,12-13,15,19-20H,6-7,9,11H2,1H3/t13-,15-,19+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >309 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323679
((1R,6S,5R)-[6-(2-(5-Methanesulfonylaminopyridin-3-...)Show SMILES CS(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C19H23N3O3S/c1-26(23,24)22-16-8-14(10-21-12-16)17-4-2-3-5-18(17)25-19-7-13-6-15(19)11-20-9-13/h2-5,8,10,12-13,15,19-20,22H,6-7,9,11H2,1H3/t13-,15-,19+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 336 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50465947
(CHEMBL4289538)Show InChI InChI=1S/C20H14N4O2/c1-13-23-17-12-21-9-6-18(17)24(13)14-2-4-15(5-3-14)26-20-16-8-11-25-19(16)7-10-22-20/h2-12H,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 376 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting |
J Med Chem 61: 11384-11397 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323671
(CHEMBL1209123 | rac-exo-[6-(2-(4-Hydroxypyridin-3-...)Show SMILES Oc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C18H20N2O2/c21-16-5-6-19-11-15(16)14-3-1-2-4-17(14)22-18-8-12-7-13(18)10-20-9-12/h1-6,11-13,18,20H,7-10H2,(H,19,21)/t12-,13-,18+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >419 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323679
((1R,6S,5R)-[6-(2-(5-Methanesulfonylaminopyridin-3-...)Show SMILES CS(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C19H23N3O3S/c1-26(23,24)22-16-8-14(10-21-12-16)17-4-2-3-5-18(17)25-19-7-13-6-15(19)11-20-9-13/h2-5,8,10,12-13,15,19-20,22H,6-7,9,11H2,1H3/t13-,15-,19+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >424 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323688
(CHEMBL1209072 | rac-exo-[6-(2-(4-Methoxypyridin-3-...)Show SMILES COc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C19H22N2O2/c1-22-17-6-7-20-12-16(17)15-4-2-3-5-18(15)23-19-9-13-8-14(19)11-21-10-13/h2-7,12-14,19,21H,8-11H2,1H3/t13-,14-,19+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 477 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50465941
(CHEMBL4283176)Show InChI InChI=1S/C21H21N3O2/c1-14-13-15(26-20-17-9-12-25-19(17)8-10-22-20)5-6-16(14)18-7-11-23-24(18)21(2,3)4/h5-13H,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 563 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting |
J Med Chem 61: 11384-11397 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323677
(CHEMBL1209185 | rac-exo-[6-(2-(5-Aminopyridin-3-yl...)Show SMILES Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C18H21N3O/c19-15-7-13(9-21-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-20-8-12/h1-4,7,9,11-12,14,18,20H,5-6,8,10,19H2/t12-,14-,18+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >575 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323681
(CHEMBL1209243 | rac-exo-[6-(2-(5-Ethanesulfonylami...)Show SMILES CCS(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C20H25N3O3S/c1-2-27(24,25)23-17-9-15(11-22-13-17)18-5-3-4-6-19(18)26-20-8-14-7-16(20)12-21-10-14/h3-6,9,11,13-14,16,20-21,23H,2,7-8,10,12H2,1H3/t14-,16-,20+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >604 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323687
((1S,6R,6S)-[6-(2-(Pyridin-3-yl)phenoxy))]-3-azabic...)Show SMILES C1[C@H]2C[C@@H](Oc3ccccc3-c3cccnc3)[C@@H]1CNC2 |r| Show InChI InChI=1S/C18H20N2O/c1-2-6-17(16(5-1)14-4-3-7-19-11-14)21-18-9-13-8-15(18)12-20-10-13/h1-7,11,13,15,18,20H,8-10,12H2/t13-,15-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >614 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323683
(CHEMBL1209305 | rac-exo-[6-(2-(5-Acetylaminopyridi...)Show SMILES CC(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C20H23N3O2/c1-13(24)23-17-8-15(10-22-12-17)18-4-2-3-5-19(18)25-20-7-14-6-16(20)11-21-9-14/h2-5,8,10,12,14,16,20-21H,6-7,9,11H2,1H3,(H,23,24)/t14-,16-,20+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >616 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323682
(CHEMBL1209244 | rac-exo-[6-(2-(5-(2-Propane)sulfon...)Show SMILES CC(C)S(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C21H27N3O3S/c1-14(2)28(25,26)24-18-9-16(11-23-13-18)19-5-3-4-6-20(19)27-21-8-15-7-17(21)12-22-10-15/h3-6,9,11,13-15,17,21-22,24H,7-8,10,12H2,1-2H3/t15-,17-,21+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 745 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323684
(CHEMBL1209306 | rac-exo-[6-(2-(5-Carboxamidopyridi...)Show SMILES NC(=O)c1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C19H21N3O2/c20-19(23)15-7-13(9-22-11-15)16-3-1-2-4-17(16)24-18-6-12-5-14(18)10-21-8-12/h1-4,7,9,11-12,14,18,21H,5-6,8,10H2,(H2,20,23)/t12-,14-,18+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >963 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323676
(CHEMBL1209184 | rac-exo-[6-(2-(4-Aminopyridin-3-yl...)Show SMILES Nc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C18H21N3O/c19-16-5-6-20-11-15(16)14-3-1-2-4-17(14)22-18-8-12-7-13(18)10-21-9-12/h1-6,11-13,18,21H,7-10H2,(H2,19,20)/t12-,13-,18+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323669
((1R,6S,5R)-[6-(2-(Pyridin-3-yl)phenoxy))]-3-azabic...)Show SMILES C1[C@@H]2C[C@H](Oc3ccccc3-c3cccnc3)[C@H]1CNC2 |r| Show InChI InChI=1S/C18H20N2O/c1-2-6-17(16(5-1)14-4-3-7-19-11-14)21-18-9-13-8-15(18)12-20-10-13/h1-7,11,13,15,18,20H,8-10,12H2/t13-,15-,18+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323669
((1R,6S,5R)-[6-(2-(Pyridin-3-yl)phenoxy))]-3-azabic...)Show SMILES C1[C@@H]2C[C@H](Oc3ccccc3-c3cccnc3)[C@H]1CNC2 |r| Show InChI InChI=1S/C18H20N2O/c1-2-6-17(16(5-1)14-4-3-7-19-11-14)21-18-9-13-8-15(18)12-20-10-13/h1-7,11,13,15,18,20H,8-10,12H2/t13-,15-,18+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323675
(CHEMBL1209183 | rac-exo-[6-(2-(5-Fluoropyridin-3-y...)Show SMILES Fc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C18H19FN2O/c19-15-7-13(9-21-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-20-8-12/h1-4,7,9,11-12,14,18,20H,5-6,8,10H2/t12-,14-,18+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50323672
((1R,6S,5R)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)Show SMILES Oc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50323672
((1R,6S,5R)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)Show SMILES Oc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50465939
(CHEMBL4285528)Show InChI InChI=1S/C20H19N3O2/c1-20(2,3)23-17(8-12-22-23)14-4-6-15(7-5-14)25-19-16-10-13-24-18(16)9-11-21-19/h4-13H,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting |
J Med Chem 61: 11384-11397 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50323674
(CHEMBL1209126 | rac-exo-[6-(2-(4-Fluoropyridin-3-y...)Show SMILES Fc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C18H19FN2O/c19-16-5-6-20-11-15(16)14-3-1-2-4-17(14)22-18-8-12-7-13(18)10-21-9-12/h1-6,11-13,18,21H,7-10H2/t12-,13-,18+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323674
(CHEMBL1209126 | rac-exo-[6-(2-(4-Fluoropyridin-3-y...)Show SMILES Fc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C18H19FN2O/c19-16-5-6-20-11-15(16)14-3-1-2-4-17(14)22-18-8-12-7-13(18)10-21-9-12/h1-6,11-13,18,21H,7-10H2/t12-,13-,18+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)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
Similars
| PDB Article PubMed
| 2.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50323669
((1R,6S,5R)-[6-(2-(Pyridin-3-yl)phenoxy))]-3-azabic...)Show SMILES C1[C@@H]2C[C@H](Oc3ccccc3-c3cccnc3)[C@H]1CNC2 |r| Show InChI InChI=1S/C18H20N2O/c1-2-6-17(16(5-1)14-4-3-7-19-11-14)21-18-9-13-8-15(18)12-20-10-13/h1-7,11,13,15,18,20H,8-10,12H2/t13-,15-,18+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50465940
(CHEMBL4282096)Show InChI InChI=1S/C17H13N3O2/c1-20-15(6-10-19-20)12-2-4-13(5-3-12)22-17-14-8-11-21-16(14)7-9-18-17/h2-11H,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting |
J Med Chem 61: 11384-11397 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50465937
(CHEMBL4287192)Show InChI InChI=1S/C19H13N5O2/c1-12-8-13(26-19-15-5-7-25-17(15)4-6-21-19)2-3-14(12)16-9-20-10-18-22-11-23-24(16)18/h2-11H,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting |
J Med Chem 61: 11384-11397 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50323680
((1S,6R,5S)-[6-(2-(5-Methanesulfonylaminopyridin-3-...)Show SMILES CS(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@@H]1C[C@@H]2C[C@H]1CNC2 |r| Show InChI InChI=1S/C19H23N3O3S/c1-26(23,24)22-16-8-14(10-21-12-16)17-4-2-3-5-18(17)25-19-7-13-6-15(19)11-20-9-13/h2-5,8,10,12-13,15,19-20,22H,6-7,9,11H2,1H3/t13-,15-,19+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50323669
((1R,6S,5R)-[6-(2-(Pyridin-3-yl)phenoxy))]-3-azabic...)Show SMILES C1[C@@H]2C[C@H](Oc3ccccc3-c3cccnc3)[C@H]1CNC2 |r| Show InChI InChI=1S/C18H20N2O/c1-2-6-17(16(5-1)14-4-3-7-19-11-14)21-18-9-13-8-15(18)12-20-10-13/h1-7,11,13,15,18,20H,8-10,12H2/t13-,15-,18+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50323679
((1R,6S,5R)-[6-(2-(5-Methanesulfonylaminopyridin-3-...)Show SMILES CS(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C19H23N3O3S/c1-26(23,24)22-16-8-14(10-21-12-16)17-4-2-3-5-18(17)25-19-7-13-6-15(19)11-20-9-13/h2-5,8,10,12-13,15,19-20,22H,6-7,9,11H2,1H3/t13-,15-,19+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50323679
((1R,6S,5R)-[6-(2-(5-Methanesulfonylaminopyridin-3-...)Show SMILES CS(=O)(=O)Nc1cncc(c1)-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 |r| Show InChI InChI=1S/C19H23N3O3S/c1-26(23,24)22-16-8-14(10-21-12-16)17-4-2-3-5-18(17)25-19-7-13-6-15(19)11-20-9-13/h2-5,8,10,12-13,15,19-20,22H,6-7,9,11H2,1H3/t13-,15-,19+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142 BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this Ligand-Target Pair | |