Found 1896 hits with Last Name = 'richelson' and Initial = 'e' 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 |
|---|
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16) | PDB
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| 0.0270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic Jacksonville
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 260: 576-80 (1992)
BindingDB Entry DOI: 10.7270/Q28P5Z0G |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16) | PDB
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| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation
Curated by PDSP Ki Database
| |
Biochem Pharmacol 45: 2352-4 (1993)
Article DOI: 10.1016/0006-2952(93)90211-e
BindingDB Entry DOI: 10.7270/Q2F76B2C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16) | PDB
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| 0.0340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic Jacksonville
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 260: 576-80 (1992)
BindingDB Entry DOI: 10.7270/Q28P5Z0G |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16) | UniProtKB/SwissProt
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| 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic Jacksonville
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 260: 576-80 (1992)
BindingDB Entry DOI: 10.7270/Q28P5Z0G |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16) | PDB
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| 0.0370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation
Curated by PDSP Ki Database
| |
Biochem Pharmacol 45: 2352-4 (1993)
Article DOI: 10.1016/0006-2952(93)90211-e
BindingDB Entry DOI: 10.7270/Q2F76B2C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16) | PDB
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| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic and Foundation
Curated by PDSP Ki Database
| |
Eur J Pharmacol 103: 197-204 (1984)
Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16) | Reactome pathway
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| 0.0430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic Jacksonville
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 260: 576-80 (1992)
BindingDB Entry DOI: 10.7270/Q28P5Z0G |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16) | UniProtKB/SwissProt
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| 0.0440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation
Curated by PDSP Ki Database
| |
Biochem Pharmacol 45: 2352-4 (1993)
Article DOI: 10.1016/0006-2952(93)90211-e
BindingDB Entry DOI: 10.7270/Q2F76B2C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16) | Reactome pathway
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| 0.0650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation
Curated by PDSP Ki Database
| |
Biochem Pharmacol 45: 2352-4 (1993)
Article DOI: 10.1016/0006-2952(93)90211-e
BindingDB Entry DOI: 10.7270/Q2F76B2C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16) | PDB
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| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation
Curated by PDSP Ki Database
| |
Biochem Pharmacol 45: 2352-4 (1993)
Article DOI: 10.1016/0006-2952(93)90211-e
BindingDB Entry DOI: 10.7270/Q2F76B2C |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM82479
(CAS_132539-06-1 | NSC_4585 | OLANZAPINE | USRE4934...)Show SMILES CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3 | PDB
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| 0.0870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research and Mayo Clinic
Curated by PDSP Ki Database
| |
Life Sci 68: 29-39 (2000)
Article DOI: 10.1016/s0024-3205(00)00911-5
BindingDB Entry DOI: 10.7270/Q2057DHP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16) | PDB
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| 0.0880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic Jacksonville
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 260: 576-80 (1992)
BindingDB Entry DOI: 10.7270/Q28P5Z0G |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
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| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic and Foundation
Curated by PDSP Ki Database
| |
Eur J Pharmacol 103: 197-204 (1984)
Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
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| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic Jacksonville
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 114: 559-65 (1994)
Article DOI: 10.1007/BF02244985
BindingDB Entry DOI: 10.7270/Q25X27FZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50048803
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) | PDB
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| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research and Mayo Clinic
Curated by PDSP Ki Database
| |
Life Sci 68: 29-39 (2000)
Article DOI: 10.1016/s0024-3205(00)00911-5
BindingDB Entry DOI: 10.7270/Q2057DHP |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | PDB
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| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic Jacksonville
Curated by PDSP Ki Database
| |
Eur J Pharmacol 340: 249-58 (1997)
Article DOI: 10.1016/s0014-2999(97)01393-9
BindingDB Entry DOI: 10.7270/Q2V69H3D |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50001786
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31) | PDB
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| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research and Mayo Clinic
Curated by PDSP Ki Database
| |
Life Sci 68: 29-39 (2000)
Article DOI: 10.1016/s0024-3205(00)00911-5
BindingDB Entry DOI: 10.7270/Q2057DHP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB
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| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research and Mayo Clinic
Curated by PDSP Ki Database
| |
Life Sci 68: 29-39 (2000)
Article DOI: 10.1016/s0024-3205(00)00911-5
BindingDB Entry DOI: 10.7270/Q2057DHP |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
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| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic and Foundation
Curated by PDSP Ki Database
| |
Eur J Pharmacol 103: 197-204 (1984)
Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
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| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic and Foundation
Curated by PDSP Ki Database
| |
Ann N Y Acad Sci 537: 435-42 (1988)
Article DOI: 10.1111/j.1749-6632.1988.tb42125.x
BindingDB Entry DOI: 10.7270/Q2X065JH |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM81768
(BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...)Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16) | PDB
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| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research and Mayo Clinic
Curated by PDSP Ki Database
| |
Life Sci 68: 29-39 (2000)
Article DOI: 10.1016/s0024-3205(00)00911-5
BindingDB Entry DOI: 10.7270/Q2057DHP |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50079527
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11- | PDB
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| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic Jacksonville
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 114: 559-65 (1994)
Article DOI: 10.1007/BF02244985
BindingDB Entry DOI: 10.7270/Q25X27FZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50034043
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3 | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research and Mayo Clinic
Curated by PDSP Ki Database
| |
Life Sci 68: 29-39 (2000)
Article DOI: 10.1016/s0024-3205(00)00911-5
BindingDB Entry DOI: 10.7270/Q2057DHP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM86698
(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3 | UniProtKB/SwissProt
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| 0.231 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic Jacksonville
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 260: 576-80 (1992)
BindingDB Entry DOI: 10.7270/Q28P5Z0G |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM84994
(CAS_163091 | NSC_163091 | ORG-5222)Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3 | PDB
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| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research and Mayo Clinic
Curated by PDSP Ki Database
| |
Life Sci 68: 29-39 (2000)
Article DOI: 10.1016/s0024-3205(00)00911-5
BindingDB Entry DOI: 10.7270/Q2057DHP |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM77970
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3 | PDB
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| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic Jacksonville
Curated by PDSP Ki Database
| |
Eur J Pharmacol 340: 249-58 (1997)
Article DOI: 10.1016/s0014-2999(97)01393-9
BindingDB Entry DOI: 10.7270/Q2V69H3D |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
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| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research and Mayo Clinic
Curated by PDSP Ki Database
| |
Life Sci 68: 29-39 (2000)
Article DOI: 10.1016/s0024-3205(00)00911-5
BindingDB Entry DOI: 10.7270/Q2057DHP |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
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| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research and Mayo Clinic
Curated by PDSP Ki Database
| |
Life Sci 68: 29-39 (2000)
Article DOI: 10.1016/s0024-3205(00)00911-5
BindingDB Entry DOI: 10.7270/Q2057DHP |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1 | PDB
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| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic Jacksonville
Curated by PDSP Ki Database
| |
Eur J Pharmacol 340: 249-58 (1997)
Article DOI: 10.1016/s0014-2999(97)01393-9
BindingDB Entry DOI: 10.7270/Q2V69H3D |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM388508
(US9944618, Compound ID No. 42)Show InChI InChI=1S/C19H20N2/c1-19(14-20,12-15-5-4-10-21-13-15)18-9-8-16-6-2-3-7-17(16)11-18/h2-11,13H,12,14,20H2,1H3/t19-/m1/s1 | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
| Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl... |
Bioorg Med Chem Lett 19: 1164-7 (2009)
BindingDB Entry DOI: 10.7270/Q26D5WBR |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50034043
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3 | PDB
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| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research and Mayo Clinic
Curated by PDSP Ki Database
| |
Life Sci 68: 29-39 (2000)
Article DOI: 10.1016/s0024-3205(00)00911-5
BindingDB Entry DOI: 10.7270/Q2057DHP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM21392
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15) | PDB
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| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation for Medical Education and Research and Mayo Clinic
Curated by PDSP Ki Database
| |
Life Sci 68: 29-39 (2000)
Article DOI: 10.1016/s0024-3205(00)00911-5
BindingDB Entry DOI: 10.7270/Q2057DHP |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM35256
((S)-mianserin | Lerivon | MIANSERIN | MIANSERIN (+...)Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1 | PDB
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| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation
Curated by PDSP Ki Database
| |
Brain Res 304: 1-7 (1984)
Article DOI: 10.1016/0006-8993(84)90856-4
BindingDB Entry DOI: 10.7270/Q21N7ZMS |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
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| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic and Foundation
Curated by PDSP Ki Database
| |
Ann N Y Acad Sci 537: 435-42 (1988)
Article DOI: 10.1111/j.1749-6632.1988.tb42125.x
BindingDB Entry DOI: 10.7270/Q2X065JH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM388484
(US9944618, Compound ID No. 18)Show SMILES CNC[C@@H]([C@H](OCc1cc(C)on1)c1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C25H26N2O2/c1-18-14-23(27-29-18)17-28-25(20-9-4-3-5-10-20)24(16-26-2)22-13-12-19-8-6-7-11-21(19)15-22/h3-15,24-26H,16-17H2,1-2H3/t24-,25-/m1/s1 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
| Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl... |
Bioorg Med Chem Lett 19: 1164-7 (2009)
BindingDB Entry DOI: 10.7270/Q26D5WBR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50008735
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic and Foundation
Curated by PDSP Ki Database
| |
Ann N Y Acad Sci 537: 435-42 (1988)
Article DOI: 10.1111/j.1749-6632.1988.tb42125.x
BindingDB Entry DOI: 10.7270/Q2X065JH |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50015720
((hyoscine)3-Hydroxy-2-phenyl-propionic acid 9-meth...)Show SMILES CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |TLB:8:9:1:3.5.4,8:7:1:3.5.4,0:1:9.7:3.5.4,THB:10:4:9.7:1| Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3 | PDB
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| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic Jacksonville
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 260: 576-80 (1992)
BindingDB Entry DOI: 10.7270/Q28P5Z0G |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50015720
((hyoscine)3-Hydroxy-2-phenyl-propionic acid 9-meth...)Show SMILES CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |TLB:8:9:1:3.5.4,8:7:1:3.5.4,0:1:9.7:3.5.4,THB:10:4:9.7:1| Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3 | PDB
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Mayo Clinic Jacksonville
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 260: 576-80 (1992)
BindingDB Entry DOI: 10.7270/Q28P5Z0G |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM78576
(CIS-THIOTHIXENE | MLS000028463 | SMR000058396 | TH...)Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1 Show InChI InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8- | PDB
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| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic and Foundation
Curated by PDSP Ki Database
| |
Ann N Y Acad Sci 537: 435-42 (1988)
Article DOI: 10.1111/j.1749-6632.1988.tb42125.x
BindingDB Entry DOI: 10.7270/Q2X065JH |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM78576
(CIS-THIOTHIXENE | MLS000028463 | SMR000058396 | TH...)Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1 Show InChI InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8- | PDB
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| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic and Foundation
Curated by PDSP Ki Database
| |
Eur J Pharmacol 103: 197-204 (1984)
Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240680
(1-(bicyclo[2.2.1]hept-5-en-2-yl)-1-phenyl-3-(piper...)Show SMILES OC(CCN1CCCCC1)(C1CC2CC1C=C2)c1ccccc1 |c:17| Show InChI InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2 | UniProtKB/SwissProt
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| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic Jacksonville
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 260: 576-80 (1992)
BindingDB Entry DOI: 10.7270/Q28P5Z0G |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50079527
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11- | PDB
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| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation
Curated by PDSP Ki Database
| |
Brain Res 304: 1-7 (1984)
Article DOI: 10.1016/0006-8993(84)90856-4
BindingDB Entry DOI: 10.7270/Q21N7ZMS |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM388637
(AZD1858 MCJ001- SS | US9944618, Compound ID No. 17...)Show SMILES CNC[C@@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H21NO/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-22H,14H2,1H3/t19-,20-/m1/s1 | Reactome pathway
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Schering-Plough Research Institute
| Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,... |
Bioorg Med Chem Lett 19: 1164-7 (2009)
BindingDB Entry DOI: 10.7270/Q26D5WBR |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50339137
(CHEMBL1323355 | Dextromepromazine | Levomepromazin...)Show InChI InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m0/s1 | PDB
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| Article
PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation
Curated by PDSP Ki Database
| |
Brain Res 304: 1-7 (1984)
Article DOI: 10.1016/0006-8993(84)90856-4
BindingDB Entry DOI: 10.7270/Q21N7ZMS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM388469
(US9944618, Compound ID No. 3)Show SMILES CNC[C@@H]([C@H](OCC(N)=O)c1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H24N2O2/c1-24-14-20(19-12-11-16-7-5-6-10-18(16)13-19)22(26-15-21(23)25)17-8-3-2-4-9-17/h2-13,20,22,24H,14-15H2,1H3,(H2,23,25)/t20-,22-/m1/s1 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
| Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl... |
Bioorg Med Chem Lett 19: 1164-7 (2009)
BindingDB Entry DOI: 10.7270/Q26D5WBR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3 | PDB
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Mayo Clinic Jacksonville
Curated by PDSP Ki Database
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J Pharmacol Exp Ther 260: 576-80 (1992)
BindingDB Entry DOI: 10.7270/Q28P5Z0G |
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Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50020712
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 | PDB
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| 0.670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Foundation
Curated by PDSP Ki Database
| |
Brain Res 304: 1-7 (1984)
Article DOI: 10.1016/0006-8993(84)90856-4
BindingDB Entry DOI: 10.7270/Q21N7ZMS |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM388498
(US9944618, Compound ID No. 32)Show SMILES CNC[C@@H]([C@H](OCCO)c1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H25NO2/c1-23-16-21(20-12-11-17-7-5-6-10-19(17)15-20)22(25-14-13-24)18-8-3-2-4-9-18/h2-12,15,21-24H,13-14,16H2,1H3/t21-,22-/m1/s1 | PDB
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Schering-Plough Research Institute
| Assay Description
SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl... |
Bioorg Med Chem Lett 19: 1164-7 (2009)
BindingDB Entry DOI: 10.7270/Q26D5WBR |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50366567
(ATOMOXETINE)Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1 | Reactome pathway
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Hong Kong University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes |
Bioorg Med Chem Lett 8: 487-92 (1999)
BindingDB Entry DOI: 10.7270/Q2F76D26 |
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Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM388467
(US9944618, Compound ID No. 1)Show SMILES CNC[C@@H]([C@H](OCC(=O)NC)c1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C23H26N2O2/c1-24-15-21(20-13-12-17-8-6-7-11-19(17)14-20)23(27-16-22(26)25-2)18-9-4-3-5-10-18/h3-14,21,23-24H,15-16H2,1-2H3,(H,25,26)/t21-,23-/m1/s1 | Reactome pathway
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
| Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,... |
Bioorg Med Chem Lett 19: 1164-7 (2009)
BindingDB Entry DOI: 10.7270/Q26D5WBR |
More data for this
Ligand-Target Pair | |
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