Found 104 hits with Last Name = 'horner' and Initial = 'w' 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) |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50426340
(CHEMBL2321943)Show SMILES COc1cc2N(O)C(=O)[C@@H](N)Cc2cc1Oc1ccccc1 |r| Show InChI InChI=1S/C16H16N2O4/c1-21-14-9-13-10(7-12(17)16(19)18(13)20)8-15(14)22-11-5-3-2-4-6-11/h2-6,8-9,12,20H,7,17H2,1H3/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50426341
(CHEMBL2321944)Show InChI InChI=1S/C15H14N2O3/c16-13-9-10-8-12(20-11-4-2-1-3-5-11)6-7-14(10)17(19)15(13)18/h1-8,13,19H,9,16H2/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50386310
(CHEMBL2049092)Show InChI InChI=1S/C10H12N2O3/c1-15-7-3-2-6-4-8(11)10(13)12(14)9(6)5-7/h2-3,5,8,14H,4,11H2,1H3/t8-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
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) |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50386292
(CHEMBL2047851)Show InChI InChI=1S/C9H10N2O2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5,10H2/t7-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
Neuronal acetylcholine receptor subunit alpha-7
(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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.59E+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)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.87E+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)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.35E+4 | 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)) | 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
| >1.35E+4 | 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)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.46E+4 | 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)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.50E+4 | 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)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.50E+4 | 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)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.50E+4 | 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)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.50E+4 | 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)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.50E+4 | 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)) | 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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.50E+4 | 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 | |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50386310
(CHEMBL2049092)Show InChI InChI=1S/C10H12N2O3/c1-15-7-3-2-6-4-8(11)10(13)12(14)9(6)5-7/h2-3,5,8,14H,4,11H2,1H3/t8-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs |
ACS Med Chem Lett 3: 187-192 (2012)
Article DOI: 10.1021/ml200204m BindingDB Entry DOI: 10.7270/Q2MC9135 |
More data for this Ligand-Target Pair | |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50386310
(CHEMBL2049092)Show InChI InChI=1S/C10H12N2O3/c1-15-7-3-2-6-4-8(11)10(13)12(14)9(6)5-7/h2-3,5,8,14H,4,11H2,1H3/t8-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human KAT2 using L-kynurenine as substrate measured after 15-20 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50386292
(CHEMBL2047851)Show InChI InChI=1S/C9H10N2O2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5,10H2/t7-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs |
ACS Med Chem Lett 3: 187-192 (2012)
Article DOI: 10.1021/ml200204m BindingDB Entry DOI: 10.7270/Q2MC9135 |
More data for this Ligand-Target Pair | |