Found 1380 hits with Last Name = 'prisinzano' and Initial = 't' 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 |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50151705
((4-tert-Butyl-2,6-dimethyl-phenyl)-(4,5-dihydro-1H...)Show SMILES [#6]-c1cc(cc(-[#6])c1\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)C([#6])([#6])[#6] Show InChI InChI=1S/C15H23N3/c1-10-8-12(15(3,4)5)9-11(2)13(10)18-14-16-6-7-17-14/h8-9H,6-7H2,1-5H3,(H2,16,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description Binding affinity towards human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 14: 4697-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.085 BindingDB Entry DOI: 10.7270/Q2FJ2G7V |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM30712
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand |
J Med Chem 41: 2243-51 (1998)
Article DOI: 10.1021/jm970513p BindingDB Entry DOI: 10.7270/Q28K7872 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM239073
(US9416103, CP-55,940)Show SMILES CCCCCCC(C)(C)c1ccc(C2CC(O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20?,22?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| US Patent
| 0.370 | -53.8 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
The Board of Trustees of the University of Arkansas; The University of Kansas
US Patent
| Assay Description Competition receptor binding was performed as previously described [Shoemaker et al., J. Pharmacol. Exp. Ther., 314:868-75]. Briefly, 50 μg of mou... |
US Patent US9416103 (2016)
BindingDB Entry DOI: 10.7270/Q2HX1BKQ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50183549
((S)-(+)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...)Show SMILES O[C@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-19-16-22-14-17-32(18-15-22)21-28(33)20-23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from DAT |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM30712
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand |
J Med Chem 41: 2243-51 (1998)
Article DOI: 10.1021/jm970513p BindingDB Entry DOI: 10.7270/Q28K7872 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50118598
(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-p...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H31F2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-15,24,29H,16-22H2/b7-4+ | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50183539
(CHEMBL381256 | CHEMBL429492 | trans-(R,R)-4-[2-[bi...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C30H33F2NO/c31-27-10-6-24(7-11-27)30(25-8-12-28(32)13-9-25)34-19-16-22-14-17-33(18-15-22)21-26-20-29(26)23-4-2-1-3-5-23/h1-13,22,26,29-30H,14-21H2/t26-,29-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from DAT |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM30703
(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)Show InChI InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand |
J Med Chem 41: 2243-51 (1998)
Article DOI: 10.1021/jm970513p BindingDB Entry DOI: 10.7270/Q28K7872 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50108346
(CHEMBL295295 | Indole Derivative)Show SMILES C[C@@H]1C2C3Cc4ccc(O)c5O[C@@H](c6[nH]c7ccccc7c16)C2(CCN3C)c45 |TLB:10:27:2:25.23.24| Show InChI InChI=1S/C24H24N2O2/c1-12-18-14-5-3-4-6-15(14)25-21(18)23-24-9-10-26(2)16(19(12)24)11-13-7-8-17(27)22(28-23)20(13)24/h3-8,12,16,19,23,25,27H,9-11H2,1-2H3/t12-,16?,19?,23-,24?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity for delta opioid receptor by displacing [3H]DADL was determined |
Bioorg Med Chem Lett 12: 165-8 (2001)
BindingDB Entry DOI: 10.7270/Q2S181T9 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50056569
(2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperaz...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H29F2N3O/c29-24-9-5-21(6-10-24)28(22-7-11-25(30)12-8-22)34-18-17-32-13-15-33(16-14-32)20-26-19-23-3-1-2-4-27(23)31-26/h1-12,19,28,31H,13-18,20H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM30703
(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)Show InChI InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description Binding affinity towards human 5-hydroxytryptamine 1D receptor |
Bioorg Med Chem Lett 14: 4697-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.085 BindingDB Entry DOI: 10.7270/Q2FJ2G7V |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50118599
(4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(naphtha...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H31F2NO/c32-29-11-7-26(8-12-29)31(27-9-13-30(33)14-10-27)35-20-17-23-15-18-34(19-16-23)22-24-5-6-25-3-1-2-4-28(25)21-24/h1-14,21,23,31H,15-20,22H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Affinity at rat dopamine transporter using [125I]-RTI-55 displacement. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50118599
(4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(naphtha...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H31F2NO/c32-29-11-7-26(8-12-29)31(27-9-13-30(33)14-10-27)35-20-17-23-15-18-34(19-16-23)22-24-5-6-25-3-1-2-4-28(25)21-24/h1-14,21,23,31H,15-20,22H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50118599
(4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(naphtha...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H31F2NO/c32-29-11-7-26(8-12-29)31(27-9-13-30(33)14-10-27)35-20-17-23-15-18-34(19-16-23)22-24-5-6-25-3-1-2-4-28(25)21-24/h1-14,21,23,31H,15-20,22H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50118600
(2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperid...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H30F2N2O/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)34-18-15-21-13-16-33(17-14-21)20-27-19-24-3-1-2-4-28(24)32-27/h1-12,19,21,29,32H,13-18,20H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50118600
(2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperid...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H30F2N2O/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)34-18-15-21-13-16-33(17-14-21)20-27-19-24-3-1-2-4-28(24)32-27/h1-12,19,21,29,32H,13-18,20H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50123395
((S)-1-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}...)Show SMILES O[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C28H32F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Binding affinity for dopamine transporter (DAT) |
Bioorg Med Chem Lett 13: 553-6 (2003)
BindingDB Entry DOI: 10.7270/Q2J102JX |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50183539
(CHEMBL381256 | CHEMBL429492 | trans-(R,R)-4-[2-[bi...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C30H33F2NO/c31-27-10-6-24(7-11-27)30(25-8-12-28(32)13-9-25)34-19-16-22-14-17-33(18-15-22)21-26-20-29(26)23-4-2-1-3-5-23/h1-13,22,26,29-30H,14-21H2/t26-,29-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50183535
((R)-(+)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...)Show SMILES O[C@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-21-17-22-14-18-32(19-15-22)20-16-28(33)23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from DAT |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM239078
(US9416103, TV-5-157)Show InChI InChI=1S/C24H23NO2/c1-3-4-15-25-16-21(19-12-8-14-22(27-2)23(19)25)24(26)20-13-7-10-17-9-5-6-11-18(17)20/h5-14,16H,3-4,15H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Board of Trustees of the University of Arkansas; The University of Kansas
US Patent
| Assay Description A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai... |
US Patent US9416103 (2016)
BindingDB Entry DOI: 10.7270/Q2HX1BKQ |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM239078
(US9416103, TV-5-157)Show InChI InChI=1S/C24H23NO2/c1-3-4-15-25-16-21(19-12-8-14-22(27-2)23(19)25)24(26)20-13-7-10-17-9-5-6-11-18(17)20/h5-14,16H,3-4,15H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 min... |
J Med Chem 56: 4537-50 (2013)
Article DOI: 10.1021/jm400268b BindingDB Entry DOI: 10.7270/Q25M68M1 |
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 KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
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 KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards dopamine transporter (DAT) |
Bioorg Med Chem Lett 13: 1385-9 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0FV8 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50183540
((S)-(-)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...)Show SMILES O[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C29H33F2NO2/c30-26-10-6-24(7-11-26)29(25-8-12-27(31)13-9-25)34-21-17-22-14-18-32(19-15-22)20-16-28(33)23-4-2-1-3-5-23/h1-13,22,28-29,33H,14-21H2/t28-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from DAT |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50183545
(CHEMBL444540 | R-(-)-4-[2-[bis-(4-fluorophenyl)met...)Show SMILES C[C@@H](CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(21-25-5-3-2-4-6-25)22-33-18-15-24(16-19-33)17-20-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from DAT |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50118601
(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-f...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2ccco2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C27H29F2NO2/c28-24-9-5-22(6-10-24)27(23-7-11-25(29)12-8-23)32-20-15-21-13-17-30(18-14-21)16-1-3-26-4-2-19-31-26/h1-12,19,21,27H,13-18,20H2/b3-1+ | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 0.990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50118606
(1-(benzofuran-2-ylmethyl)-4-(2-(bis(4-fluorophenyl...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3o2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NO2/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)33-18-15-21-13-16-32(17-14-21)20-27-19-24-3-1-2-4-28(24)34-27/h1-12,19,21,29H,13-18,20H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50118606
(1-(benzofuran-2-ylmethyl)-4-(2-(bis(4-fluorophenyl...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3o2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NO2/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)33-18-15-21-13-16-32(17-14-21)20-27-19-24-3-1-2-4-28(24)34-27/h1-12,19,21,29H,13-18,20H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 1.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126814
(1-(4-(trifluoromethyl)benzyl)-4-(2-(bis(4-fluoroph...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H28F5NO/c29-25-9-3-22(4-10-25)27(23-5-11-26(30)12-6-23)35-18-15-20-13-16-34(17-14-20)19-21-1-7-24(8-2-21)28(31,32)33/h1-12,20,27H,13-19H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50183532
(4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1-(3,4-di...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CC2=Cc3ccccc3CC2)CC1)c1ccc(F)cc1 |t:17| Show InChI InChI=1S/C31H33F2NO/c32-29-11-7-26(8-12-29)31(27-9-13-30(33)14-10-27)35-20-17-23-15-18-34(19-16-23)22-24-5-6-25-3-1-2-4-28(25)21-24/h1-4,7-14,21,23,31H,5-6,15-20,22H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from DAT |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126823
(1-(4-bromobenzyl)-4-(2-(bis(4-fluorophenyl)methoxy...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C27H28BrF2NO/c28-24-7-1-21(2-8-24)19-31-16-13-20(14-17-31)15-18-32-27(22-3-9-25(29)10-4-22)23-5-11-26(30)12-6-23/h1-12,20,27H,13-19H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Affinity at rat dopamine transporter using [125I]-RTI-55 displacement. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50049363
(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-p...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H33F2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,24,29H,4,7,16-22H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126814
(1-(4-(trifluoromethyl)benzyl)-4-(2-(bis(4-fluoroph...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H28F5NO/c29-25-9-3-22(4-10-25)27(23-5-11-26(30)12-6-23)35-18-15-20-13-16-34(17-14-20)19-21-1-7-24(8-2-21)28(31,32)33/h1-12,20,27H,13-19H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Affinity at rat dopamine transporter using [125I]-RTI-55 displacement. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126823
(1-(4-bromobenzyl)-4-(2-(bis(4-fluorophenyl)methoxy...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C27H28BrF2NO/c28-24-7-1-21(2-8-24)19-31-16-13-20(14-17-31)15-18-32-27(22-3-9-25(29)10-4-22)23-5-11-26(30)12-6-23/h1-12,20,27H,13-19H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50064806
(2-(4-Isopropyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H...)Show InChI InChI=1S/C15H22N2/c1-10(2)13-7-11(3)14(12(4)8-13)9-15-16-5-6-17-15/h7-8,10H,5-6,9H2,1-4H3,(H,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand |
J Med Chem 41: 2243-51 (1998)
Article DOI: 10.1021/jm970513p BindingDB Entry DOI: 10.7270/Q28K7872 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126817
(4-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperid...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H28F2N2O/c29-26-9-5-24(6-10-26)28(25-7-11-27(30)12-8-25)33-18-15-21-13-16-32(17-14-21)20-23-3-1-22(19-31)2-4-23/h1-12,21,28H,13-18,20H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126813
(1-(4-chlorobenzyl)-4-(2-(bis(4-fluorophenyl)methox...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C27H28ClF2NO/c28-24-7-1-21(2-8-24)19-31-16-13-20(14-17-31)15-18-32-27(22-3-9-25(29)10-4-22)23-5-11-26(30)12-6-23/h1-12,20,27H,13-19H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Affinity at rat dopamine transporter using [125I]-RTI-55 displacement. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126817
(4-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperid...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H28F2N2O/c29-26-9-5-24(6-10-26)28(25-7-11-27(30)12-8-25)33-18-15-21-13-16-32(17-14-21)20-23-3-1-22(19-31)2-4-23/h1-12,21,28H,13-18,20H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Affinity at rat dopamine transporter using [125I]-RTI-55 displacement. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126813
(1-(4-chlorobenzyl)-4-(2-(bis(4-fluorophenyl)methox...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C27H28ClF2NO/c28-24-7-1-21(2-8-24)19-31-16-13-20(14-17-31)15-18-32-27(22-3-9-25(29)10-4-22)23-5-11-26(30)12-6-23/h1-12,20,27H,13-19H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126820
(1-(4-nitrobenzyl)-4-(2-(bis(4-fluorophenyl)methoxy...)Show SMILES [O-][N+](=O)c1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C27H28F2N2O3/c28-24-7-3-22(4-8-24)27(23-5-9-25(29)10-6-23)34-18-15-20-13-16-30(17-14-20)19-21-1-11-26(12-2-21)31(32)33/h1-12,20,27H,13-19H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Affinity at rat dopamine transporter using [125I]-RTI-55 displacement. |
J Med Chem 46: 1465-9 (2003)
Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126820
(1-(4-nitrobenzyl)-4-(2-(bis(4-fluorophenyl)methoxy...)Show SMILES [O-][N+](=O)c1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C27H28F2N2O3/c28-24-7-3-22(4-8-24)27(23-5-9-25(29)10-6-23)34-18-15-20-13-16-30(17-14-20)19-21-1-11-26(12-2-21)31(32)33/h1-12,20,27H,13-19H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126386
((1R,2S)-2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl...)Show SMILES O[C@@H]1[C@H](CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CCc2ccccc12 Show InChI InChI=1S/C30H34F2N2O2/c31-26-11-7-23(8-12-26)30(24-9-13-27(32)14-10-24)36-20-19-33-15-17-34(18-16-33)21-25-6-5-22-3-1-2-4-28(22)29(25)35/h1-4,7-14,25,29-30,35H,5-6,15-21H2/t25-,29+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50183547
(CHEMBL206128 | CHEMBL255065 | trans-(S,S)-4-[2-[bi...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C30H33F2NO/c31-27-10-6-24(7-11-27)30(25-8-12-28(32)13-9-25)34-19-16-22-14-17-33(18-15-22)21-26-20-29(26)23-4-2-1-3-5-23/h1-13,22,26,29-30H,14-21H2/t26-,29-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes |
Bioorg Med Chem 15: 1146-59 (2006)
Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50183546
(CHEMBL383071 | S-(+)-4-[2-[bis-(4-fluorophenyl)met...)Show SMILES C[C@@H](CCN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C30H35F2NO/c1-23(25-5-3-2-4-6-25)15-19-33-20-16-24(17-21-33)18-22-34-30(26-7-11-28(31)12-8-26)27-9-13-29(32)14-10-27/h2-14,23-24,30H,15-22H2,1H3/t23-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from DAT |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50118605
(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-t...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2cccs2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C27H29F2NOS/c28-24-9-5-22(6-10-24)27(23-7-11-25(29)12-8-23)31-19-15-21-13-17-30(18-14-21)16-1-3-26-4-2-20-32-26/h1-12,20-21,27H,13-19H2/b3-1+ | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50126386
((1R,2S)-2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl...)Show SMILES O[C@@H]1[C@H](CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CCc2ccccc12 Show InChI InChI=1S/C30H34F2N2O2/c31-26-11-7-23(8-12-26)30(24-9-13-27(32)14-10-24)36-20-19-33-15-17-34(18-16-33)21-25-6-5-22-3-1-2-4-28(22)29(25)35/h1-4,7-14,25,29-30,35H,5-6,15-21H2/t25-,29+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards dopamine transporter (DAT) |
Bioorg Med Chem Lett 13: 1385-9 (2003)
BindingDB Entry DOI: 10.7270/Q2VX0FV8 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50183548
((S)-(+)-4-(2-benzhydryloxyethyl)-1-(3-phenylpropan...)Show SMILES O[C@H](CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C29H35NO2/c31-28(22-25-10-4-1-5-11-25)23-30-19-16-24(17-20-30)18-21-32-29(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,24,28-29,31H,16-23H2/t28-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from DAT |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50183547
(CHEMBL206128 | CHEMBL255065 | trans-(S,S)-4-[2-[bi...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C30H33F2NO/c31-27-10-6-24(7-11-27)30(25-8-12-28(32)13-9-25)34-19-16-22-14-17-33(18-15-22)21-26-20-29(26)23-4-2-1-3-5-23/h1-13,22,26,29-30H,14-21H2/t26-,29-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from DAT |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50183538
((R)-(+)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...)Show SMILES O[C@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C30H35F2NO2/c31-27-11-7-25(8-12-27)30(26-9-13-28(32)14-10-26)35-21-18-24-16-19-33(20-17-24)22-29(34)15-6-23-4-2-1-3-5-23/h1-5,7-14,24,29-30,34H,6,15-22H2/t29-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Inhibition of [3H]DA uptake |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50183542
((S)-(-)-4-[2-[bis-(4-fluorophenyl)methoxy]ethyl]-1...)Show SMILES O[C@@H](CCc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C30H35F2NO2/c31-27-11-7-25(8-12-27)30(26-9-13-28(32)14-10-26)35-21-18-24-16-19-33(20-17-24)22-29(34)15-6-23-4-2-1-3-5-23/h1-5,7-14,24,29-30,34H,6,15-22H2/t29-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from DAT |
J Med Chem 49: 1766-72 (2006)
Article DOI: 10.1021/jm050766f BindingDB Entry DOI: 10.7270/Q2KS6R5F |
More data for this Ligand-Target Pair | |