Found 2114 hits of ki for UniProtKB: Q01959 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50101075
((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3/t10?,11-,14?,15+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description Displacement of [3H]CFT from human DAT expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50004167
((2R,3S)-3-(4-Chloro-phenyl)-2-((E)-2-chloro-vinyl)...)Show SMILES CN1C2CCC1[C@@H](\C=C\Cl)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:12:10:1:4.3,0:1:6.10.11:4.3| Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8+/t13?,14-,15+,16?/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding constant for the ability to displace [3H]mazindol to dopamine receptor was calculated from the Cheng-Prusoff relationship |
Bioorg Med Chem Lett 3: 1327-1332 (1993)
Article DOI: 10.1016/S0960-894X(00)80341-8 BindingDB Entry DOI: 10.7270/Q2RJ4JZN |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50085072
(1-{2-[(3-Fluoro-phenyl)-(4-fluoro-phenyl)-methoxy]...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1cccc(F)c1 Show InChI InChI=1S/C28H32F2N2O/c29-26-13-11-24(12-14-26)28(25-9-4-10-27(30)22-25)33-21-20-32-18-16-31(17-19-32)15-5-8-23-6-2-1-3-7-23/h1-4,6-7,9-14,22,28H,5,8,15-21H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Competitive binding versus [N-methyl-3H]-WIN 35,428 in murine kidney cells transfected with human dopamine transporter |
J Med Chem 43: 639-48 (2000)
BindingDB Entry DOI: 10.7270/Q27S7N07 |
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 | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50323773
(CHEMBL1214007 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23BrFNO2/c1-24-19(23)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-21/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/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 |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human DAT |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Mol Pharmacol 45: 125-35 (1994)
BindingDB Entry DOI: 10.7270/Q2NG4P5C |
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)) | BDBM50085071
(3-(4-Iodo-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]non...)Show SMILES COC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(I)cc1 |TLB:11:10:4.13.12:6.7,THB:2:4:10.9:6.7,14:13:10.9:6.7| Show InChI InChI=1S/C17H22INO2/c1-19-10-11-3-8-15(19)16(17(20)21-2)14(9-11)12-4-6-13(18)7-5-12/h4-7,11,14-16H,3,8-10H2,1-2H3/t11?,14-,15?,16?/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description In vitro affinity determined using [3H]-WIN- 35428 in murine kidney cells transfected with human dopamine transporter (DAT) |
J Med Chem 43: 639-48 (2000)
BindingDB Entry DOI: 10.7270/Q27S7N07 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50006774
((2S,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...)Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description In vitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT) |
J Med Chem 46: 925-35 (2003)
Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50006774
((2S,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...)Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale School of Medicine
Curated by ChEMBL
| Assay Description Binding affinity to dopamine transporter in membranes of cells selectively expressing the human genes for DAT |
Bioorg Med Chem Lett 14: 2117-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.043 BindingDB Entry DOI: 10.7270/Q2WS8SQK |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50323774
(CHEMBL1214059 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23FINO2/c1-24-19(23)18-16(13-4-6-14(21)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-20/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/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 |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human DAT |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
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 | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50323772
(CHEMBL1214006 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23ClFNO2/c1-24-19(23)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-21/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human DAT |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50106857
(3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-car...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 |THB:2:4:18:6.7| Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description In vitro binding affinity against human dopamine transporter in dog kidney cell line by using [125I]-RTI-55 as radioligand |
J Med Chem 47: 1122-35 (2004)
Article DOI: 10.1021/jm030384e BindingDB Entry DOI: 10.7270/Q2154GG7 |
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
(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 | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50363762
(CHEMBL1947088)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C(I)=C\C(F)(F)F |r,THB:19:18:4.10.9:7.6| Show InChI InChI=1S/C20H23F3INO2/c1-12-3-5-13(6-4-12)16-9-15-7-8-17(18(16)19(26)27-2)25(15)11-14(24)10-20(21,22)23/h3-6,10,15-18H,7-9,11H2,1-2H3/b14-10-/t15-,16+,17+,18-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human cloned DAT receptor expressed in human HEK293 cells |
Bioorg Med Chem 20: 1388-95 (2012)
Article DOI: 10.1016/j.bmc.2012.01.014 BindingDB Entry DOI: 10.7270/Q26T0N3Z |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50004167
((2R,3S)-3-(4-Chloro-phenyl)-2-((E)-2-chloro-vinyl)...)Show SMILES CN1C2CCC1[C@@H](\C=C\Cl)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:12:10:1:4.3,0:1:6.10.11:4.3| Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8+/t13?,14-,15+,16?/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding constant for [3H]dopamine uptake was calculated from the Cheng-Prusoff relationship |
Bioorg Med Chem Lett 3: 1327-1332 (1993)
Article DOI: 10.1016/S0960-894X(00)80341-8 BindingDB Entry DOI: 10.7270/Q2RJ4JZN |
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)) | BDBM50085069
(3-(4-Chloro-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]n...)Show SMILES CC(C)OC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(Cl)cc1 |TLB:13:12:6.15.14:8.9,THB:4:6:12.11:8.9,16:15:12.11:8.9| Show InChI InChI=1S/C19H26ClNO2/c1-12(2)23-19(22)18-16(14-5-7-15(20)8-6-14)10-13-4-9-17(18)21(3)11-13/h5-8,12-13,16-18H,4,9-11H2,1-3H3/t13?,16-,17?,18?/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL 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 |
Emory University
Curated by ChEMBL
| Assay Description Inhibition constant against [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with human dopamine transporter. |
J Med Chem 43: 639-48 (2000)
BindingDB Entry DOI: 10.7270/Q27S7N07 |
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)) | BDBM172726
(US9096515, 33a -(R)-Isomer | US9296681, 33a-(R)-Is...)Show SMILES C[C@@H](CCNCCCC(N)=O)CC1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H28Cl2N2O/c1-14(7-11-23-10-2-4-18(22)24)13-19(8-3-9-19)15-5-6-16(20)17(21)12-15/h5-6,12,14,23H,2-4,7-11,13H2,1H3,(H2,22,24)/t14-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
REVIVA PHARMACEUTICALS, INC.
US Patent
| Assay Description The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros... |
US Patent US9296681 (2016)
BindingDB Entry DOI: 10.7270/Q22B8WW4 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM172726
(US9096515, 33a -(R)-Isomer | US9296681, 33a-(R)-Is...)Show SMILES C[C@@H](CCNCCCC(N)=O)CC1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H28Cl2N2O/c1-14(7-11-23-10-2-4-18(22)24)13-19(8-3-9-19)15-5-6-16(20)17(21)12-15/h5-6,12,14,23H,2-4,7-11,13H2,1H3,(H2,22,24)/t14-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
REVIVA PHARMACEUTICALS, INC.
US Patent
| Assay Description The monoamine transporters inhibitory activities of selected compounds cycloalkylmethylamine derivatives comprising Formula (I) are reported herein. ... |
US Patent US9096515 (2015)
BindingDB Entry DOI: 10.7270/Q2Z60MTK |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50202396
((RR/SS)-2-[1-(3,4-dichlorophenyl)butyl]piperidine ...)Show InChI InChI=1S/C15H21Cl2N/c1-2-5-12(15-6-3-4-9-18-15)11-7-8-13(16)14(17)10-11/h7-8,10,12,15,18H,2-6,9H2,1H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts College of Pharmacy and Health Sciences
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells |
J Med Chem 50: 219-32 (2007)
Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50202396
((RR/SS)-2-[1-(3,4-dichlorophenyl)butyl]piperidine ...)Show InChI InChI=1S/C15H21Cl2N/c1-2-5-12(15-6-3-4-9-18-15)11-7-8-13(16)14(17)10-11/h7-8,10,12,15,18H,2-6,9H2,1H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts College of Pharmacy and Health Sciences
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells |
J Med Chem 50: 219-32 (2007)
Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3 |
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
(Homo sapiens (Human)) | 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Mol Pharmacol 45: 125-35 (1994)
BindingDB Entry DOI: 10.7270/Q2NG4P5C |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50202400
((RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-p...)Show InChI InChI=1S/C16H23Cl2N/c1-11(2)9-13(16-5-3-4-8-19-16)12-6-7-14(17)15(18)10-12/h6-7,10-11,13,16,19H,3-5,8-9H2,1-2H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts College of Pharmacy and Health Sciences
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells |
J Med Chem 50: 219-32 (2007)
Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50299799
(4-(4,5-difluoro-2-(4-fluorophenoxy)phenyl)piperidi...)Show InChI InChI=1S/C17H16F3NO/c18-12-1-3-13(4-2-12)22-17-10-16(20)15(19)9-14(17)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells |
Bioorg Med Chem Lett 19: 6604-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.014 BindingDB Entry DOI: 10.7270/Q23B606Z |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50202400
((RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-p...)Show InChI InChI=1S/C16H23Cl2N/c1-11(2)9-13(16-5-3-4-8-19-16)12-6-7-14(17)15(18)10-12/h6-7,10-11,13,16,19H,3-5,8-9H2,1-2H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts College of Pharmacy and Health Sciences
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells |
J Med Chem 50: 219-32 (2007)
Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50304049
(1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...)Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1 |r,TLB:39:38:46:34.35,16:6:1:3.4,THB:9:7:1:3.4,30:32:46:34.35| Show InChI InChI=1S/C39H49Cl2N5O4/c1-44-30-15-17-34(44)36(32(21-30)25-7-11-27(40)12-8-25)38(47)49-20-6-4-3-5-19-46-23-29(42-43-46)24-50-39(48)37-33(26-9-13-28(41)14-10-26)22-31-16-18-35(37)45(31)2/h7-14,23,30-37H,3-6,15-22,24H2,1-2H3/t30?,31?,32-,33-,34?,35?,36-,37+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University
Curated by ChEMBL
| Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green... |
Bioorg Med Chem 17: 4900-9 (2009)
Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2 |
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
(Homo sapiens (Human)) | BDBM50055017
(7,8-Dichloro-5-(4-chloro-phenyl)-2,5-dihydro-3H-im...)Show SMILES OC1(N2CCN=C2c2cc(Cl)c(Cl)cc12)c1ccc(Cl)cc1 |c:5| Show InChI InChI=1S/C16H11Cl3N2O/c17-10-3-1-9(2-4-10)16(22)12-8-14(19)13(18)7-11(12)15-20-5-6-21(15)16/h1-4,7-8,22H,5-6H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.05 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Drew University
Curated by ChEMBL
| Assay Description Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells |
J Med Chem 45: 4097-109 (2002)
BindingDB Entry DOI: 10.7270/Q2MC90R8 |
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
(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
(Homo sapiens (Human)) | BDBM50035738
((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3 | 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 |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Compound was tested for inhibition of [125I]RTI-55 binding to dopamine transporter in HEK cells |
Bioorg Med Chem Lett 13: 2151-4 (2003)
BindingDB Entry DOI: 10.7270/Q2DN45K3 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM202585
(US10035761, Compound 8j | US9238625, 8j)Show SMILES CCOCCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H33Cl2NO/c1-4-25-13-6-5-12-24-20(14-16(2)3)21(10-7-11-21)17-8-9-18(22)19(23)15-17/h8-9,15-16,20,24H,4-7,10-14H2,1-3H3/t20-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 1.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Revivia Pharmaceuticals, Inc.
US Patent
| Assay Description The monoamine transporters inhibitory activities of selected cycloalkylmethylamines of Formula (I) are reported herein. The compounds were evaluated ... |
US Patent US10035761 (2018)
BindingDB Entry DOI: 10.7270/Q2D220N9 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM202585
(US10035761, Compound 8j | US9238625, 8j)Show SMILES CCOCCCCN[C@H](CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H33Cl2NO/c1-4-25-13-6-5-12-24-20(14-16(2)3)21(10-7-11-21)17-8-9-18(22)19(23)15-17/h8-9,15-16,20,24H,4-7,10-14H2,1-3H3/t20-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 1.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
REVIVA PHARMACEUTICALS, INC.
US Patent
| Assay Description The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros... |
US Patent US9238625 (2016)
BindingDB Entry DOI: 10.7270/Q2CV4GKK |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334458
(CHEMBL1643901 | N-(3-Fluorobenzyl)-N-methyl-8-amin...)Show SMILES CN(Cc1cccc(F)c1)[C@@H]1C2C3CC4C5CC(C2C35)C14 |r,THB:11:18:16:14.20,10:20:18.19:16,12:19:16:14.20,13:14:18.19:16| Show InChI InChI=1S/C19H22FN/c1-21(8-9-3-2-4-10(20)5-9)19-16-12-7-13-15-11(12)6-14(16)17(15)18(13)19/h2-5,11-19H,6-8H2,1H3/t11?,12?,13?,14?,15?,16?,17?,18?,19-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank 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 |
The University of Sydney
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN-35428 form human DAT expressed in HEK cell membranes |
Bioorg Med Chem Lett 21: 38-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.075 BindingDB Entry DOI: 10.7270/Q20K28VR |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50495103
(CHEMBL3105243)Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OCCF)N2C\C=C\I |r| Show InChI InChI=1S/C19H22FI2NO2/c20-8-11-25-19(24)18-16(13-2-4-14(22)5-3-13)12-15-6-7-17(18)23(15)10-1-9-21/h1-5,9,15-18H,6-8,10-12H2/b9-1+/t15-,16+,17+,18-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of Vienna
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human DAT after 2 hrs by liquid scintillation counting analysis |
Bioorg Med Chem 21: 7562-9 (2013)
Article DOI: 10.1016/j.bmc.2013.10.046 BindingDB Entry DOI: 10.7270/Q27P92BD |
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
(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)) | 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)) | BDBM50202391
((RS/SR)-methyl 2-(3,4-dichlorophenyl)-2-(piperidin...)Show InChI InChI=1S/C14H17Cl2NO2/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17H,2-4,7H2,1H3 | 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 |
Massachusetts College of Pharmacy and Health Sciences
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells |
J Med Chem 50: 219-32 (2007)
Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50202391
((RS/SR)-methyl 2-(3,4-dichlorophenyl)-2-(piperidin...)Show InChI InChI=1S/C14H17Cl2NO2/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17H,2-4,7H2,1H3 | 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 |
Massachusetts College of Pharmacy and Health Sciences
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells |
J Med Chem 50: 219-32 (2007)
Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3 |
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)) | BDBM22165
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/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/h1-3,5-6,8-15,28H,4,7,16-22H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Mol Pharmacol 45: 125-35 (1994)
BindingDB Entry DOI: 10.7270/Q2NG4P5C |
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)) | BDBM50459923
(CHEMBL4228464)Show SMILES [H][C@]12CC[C@](C1)([C@@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-11-8-18-12-4-5-15(11,7-12)10-2-3-13(16)14(17)6-10/h2-3,6,11-12,18H,4-5,7-9H2,1H3/t11-,12+,15-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human DAT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |