Found 19 hits with Last Name = 'barkhuijsen' and Initial = 'n' 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
(Rattus norvegicus (Rat)) | BDBM50004108
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)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 | PDB
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| PDB Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86831
((+/-)-2-(pyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridin...)Show InChI InChI=1S/C11H13N3/c1-2-8-6-10(9-3-5-12-7-9)14-11(8)13-4-1/h1-2,4,6,9,12H,3,5,7H2,(H,13,14) | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86826
((S)-5-(5-methoxypyridin-3-yl)-N-methylpent-4-en-2-...)Show InChI InChI=1S/C12H18N2O/c1-10(13-2)5-4-6-11-7-12(15-3)9-14-8-11/h4,6-10,13H,5H2,1-3H3 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86831
((+/-)-2-(pyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridin...)Show InChI InChI=1S/C11H13N3/c1-2-8-6-10(9-3-5-12-7-9)14-11(8)13-4-1/h1-2,4,6,9,12H,3,5,7H2,(H,13,14) | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86833
(CAS_5310967 | Methyl-((E)-4-pyridin-3-yl-but-3-eny...)Show InChI InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3 | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86825
((R)-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyr...)Show InChI InChI=1S/C12H15N3/c1-3-9-7-11(15-12(9)14-6-1)8-10-4-2-5-13-10/h1,3,6-7,10,13H,2,4-5,8H2,(H,14,15) | PDB
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| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86836
((R)-6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[...)Show InChI InChI=1S/C12H14ClN3/c13-11-4-3-8-6-10(15-12(8)16-11)7-9-2-1-5-14-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,16) | PDB
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| 147 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86831
((+/-)-2-(pyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridin...)Show InChI InChI=1S/C11H13N3/c1-2-8-6-10(9-3-5-12-7-9)14-11(8)13-4-1/h1-2,4,6,9,12H,3,5,7H2,(H,13,14) | PDB
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| 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86828
((R)-6-fluoro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[...)Show InChI InChI=1S/C12H14FN3/c13-11-4-3-8-6-10(15-12(8)16-11)7-9-2-1-5-14-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,16) | PDB
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| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86840
((R)-6-bromo-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2...)Show InChI InChI=1S/C12H14BrN3/c13-11-4-3-8-6-10(15-12(8)16-11)7-9-2-1-5-14-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,16) | PDB
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| Article PubMed
| 691 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86827
((R)-2-((1-methylpyrrolidin-2-yl)methyl)-1H-pyrrolo...)Show InChI InChI=1S/C13H17N3/c1-16-7-3-5-12(16)9-11-8-10-4-2-6-14-13(10)15-11/h2,4,6,8,12H,3,5,7,9H2,1H3,(H,14,15) | PDB
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| Article PubMed
| 691 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86829
((+/-)-2-(piperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine...)Show InChI InChI=1S/C12H15N3/c1-4-10(8-13-5-1)11-7-9-3-2-6-14-12(9)15-11/h2-3,6-7,10,13H,1,4-5,8H2,(H,14,15) | PDB
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86828
((R)-6-fluoro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[...)Show InChI InChI=1S/C12H14FN3/c13-11-4-3-8-6-10(15-12(8)16-11)7-9-2-1-5-14-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,16) | PDB
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| PC cid PC sid UniChem
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| Article PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86827
((R)-2-((1-methylpyrrolidin-2-yl)methyl)-1H-pyrrolo...)Show InChI InChI=1S/C13H17N3/c1-16-7-3-5-12(16)9-11-8-10-4-2-6-14-13(10)15-11/h2,4,6,8,12H,3,5,7,9H2,1H3,(H,14,15) | PDB
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| PC cid PC sid UniChem
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| Article PubMed
| 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86825
((R)-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyr...)Show InChI InChI=1S/C12H15N3/c1-3-9-7-11(15-12(9)14-6-1)8-10-4-2-5-13-10/h1,3,6-7,10,13H,2,4-5,8H2,(H,14,15) | PDB
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| Article PubMed
| 2.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86830
(3-(piperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine | CAS...)Show InChI InChI=1S/C12H15N3/c1-3-9(7-13-5-1)11-8-15-12-10(11)4-2-6-14-12/h2,4,6,8-9,13H,1,3,5,7H2,(H,14,15) | PDB
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| 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86838
(6-chloro-3-(piperidin-3-yl)-1H-pyrrolo[2,3-b]pyrid...)Show InChI InChI=1S/C12H14ClN3/c13-11-4-3-9-10(7-15-12(9)16-11)8-2-1-5-14-6-8/h3-4,7-8,14H,1-2,5-6H2,(H,15,16) | PDB
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| PC cid PC sid UniChem
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| 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86836
((R)-6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[...)Show InChI InChI=1S/C12H14ClN3/c13-11-4-3-8-6-10(15-12(8)16-11)7-9-2-1-5-14-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,16) | PDB
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| 3.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM86829
((+/-)-2-(piperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine...)Show InChI InChI=1S/C12H15N3/c1-4-10(8-13-5-1)11-7-9-3-2-6-14-12(9)15-11/h2-3,6-7,10,13H,1,4-5,8H2,(H,14,15) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Solvay Pharmaceuticals
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 188-93 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.101 BindingDB Entry DOI: 10.7270/Q2C827W3 |
More data for this Ligand-Target Pair | |