Found 69 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Norepinephrine transporter
(RAT) | BDBM81946
(CAS_96850-13-4 | LU 19,005 | LU 19-005)Show SMILES CN[C@H]1C[C@@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3/t13-,16+/m1/s1 | UniProtKB/TrEMBL
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| PC cid
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| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM81946
(CAS_96850-13-4 | LU 19,005 | LU 19-005)Show SMILES CN[C@H]1C[C@@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3/t13-,16+/m1/s1 | PDB
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| PC cid
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| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50021895
(4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...)Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3 | Reactome pathway
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| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM50021217
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3 | UniProtKB/TrEMBL
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| Article
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| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM81946
(CAS_96850-13-4 | LU 19,005 | LU 19-005)Show SMILES CN[C@H]1C[C@@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3/t13-,16+/m1/s1 | Reactome pathway
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| 0.990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM25870
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3 | PDB
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Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Norepinephrine transporter
(RAT) | BDBM50021895
(4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...)Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3 | UniProtKB/TrEMBL
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM81954
(1-(2-Benzhydryloxy-ethyl)-4-((E)-3-phenyl-allyl)-p...)Show SMILES C(CN1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H32N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2/b13-10+ | Reactome pathway
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM22417
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3 | UniProtKB/TrEMBL
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50021895
(4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...)Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3 | PDB
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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM22199
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+ | Reactome pathway
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM50026952
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1 | UniProtKB/TrEMBL
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| CHEMBL
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PC sid
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| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM50005548
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3 | UniProtKB/TrEMBL
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| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50026952
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1 | Reactome pathway
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| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM22199
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+ | UniProtKB/TrEMBL
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM81954
(1-(2-Benzhydryloxy-ethyl)-4-((E)-3-phenyl-allyl)-p...)Show SMILES C(CN1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H32N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2/b13-10+ | UniProtKB/TrEMBL
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50005548
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3 | Reactome pathway
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| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50026952
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1 | PDB
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| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM22199
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+ | PDB
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| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM81954
(1-(2-Benzhydryloxy-ethyl)-4-((E)-3-phenyl-allyl)-p...)Show SMILES C(CN1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H32N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2/b13-10+ | PDB
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| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM81946
(CAS_96850-13-4 | LU 19,005 | LU 19-005)Show SMILES CN[C@H]1C[C@@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3/t13-,16+/m1/s1 | PDB
Reactome pathway
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| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50021895
(4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...)Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3 | PDB
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| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50021895
(4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...)Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3 | PDB
Reactome pathway
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| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM22417
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3 | Reactome pathway
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| 560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50026952
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1 | PDB
Reactome pathway
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| 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50048392
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3 | Reactome pathway
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| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM22417
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3 | PDB
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| 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM22417
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3 | PDB
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| 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM81946
(CAS_96850-13-4 | LU 19,005 | LU 19-005)Show SMILES CN[C@H]1C[C@@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3/t13-,16+/m1/s1 | PDB
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| 740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM22199
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+ | PDB
Reactome pathway
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| 810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50005548
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3 | PDB
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| 830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50021217
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3 | PDB
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| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM81954
(1-(2-Benzhydryloxy-ethyl)-4-((E)-3-phenyl-allyl)-p...)Show SMILES C(CN1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H32N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2/b13-10+ | PDB
Reactome pathway
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| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM81954
(1-(2-Benzhydryloxy-ethyl)-4-((E)-3-phenyl-allyl)-p...)Show SMILES C(CN1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H32N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2/b13-10+ | PDB
Reactome pathway
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50005548
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3 | PDB
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| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50021217
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3 | PDB
Reactome pathway
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| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM50048392
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3 | UniProtKB/TrEMBL
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| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM25870
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3 | PDB
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| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50021217
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3 | PDB
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| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM81954
(1-(2-Benzhydryloxy-ethyl)-4-((E)-3-phenyl-allyl)-p...)Show SMILES C(CN1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H32N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2/b13-10+ | PDB
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| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM22199
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+ | PDB
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| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM22199
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+ | PDB
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Similars
| Article
PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM81954
(1-(2-Benzhydryloxy-ethyl)-4-((E)-3-phenyl-allyl)-p...)Show SMILES C(CN1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H32N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2/b13-10+ | PDB
Reactome pathway
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| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM22199
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+ | PDB
Reactome pathway
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| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50021895
(4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...)Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3 | PDB
Reactome pathway
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| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50005548
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3 | PDB
Reactome pathway
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| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM22417
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3 | PDB
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| 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM25870
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3 | PDB
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| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM22417
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3 | PDB
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| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Norepinephrine transporter
(RAT) | BDBM25870
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3 | UniProtKB/TrEMBL
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| 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM25870
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3 | PDB
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| 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50021217
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3 | Reactome pathway
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| 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50021217
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50021895
(4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...)Show InChI InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3 | PDB
Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50021217
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50048392
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50005548
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM81946
(CAS_96850-13-4 | LU 19,005 | LU 19-005)Show SMILES CN[C@H]1C[C@@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3/t13-,16+/m1/s1 | PDB
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| PC cid
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM22417
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50026952
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50048392
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50026952
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50048392
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3 | PDB
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50026952
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM25870
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3 | PDB
Reactome pathway
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM25870
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3 | Reactome pathway
KEGG
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| Purchase
CHEMBL
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PC cid
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PDB
UniChem
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50048392
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3 | PDB
Reactome pathway
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| Purchase
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KEGG
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PC sid
UniChem
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Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM81946
(CAS_96850-13-4 | LU 19,005 | LU 19-005)Show SMILES CN[C@H]1C[C@@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3/t13-,16+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50005548
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3 | PDB
Reactome pathway
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| Purchase
CHEMBL
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PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck AIS
Curated by PDSP Ki Database
| |
J Neurochem 44: 1615-22 (1985)
Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F |
More data for this
Ligand-Target Pair | |
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