Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50034755 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 |
|---|
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)) | 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)) | 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
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]mazindol from dopamine transporter |
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)) | 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
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against [3H]dopamine uptake |
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)) | 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
| n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against [3H]dopamine uptake |
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)) | 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
| n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against [3H]dopamine uptake |
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)) | BDBM50004169
((2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-vinyl-8-aza...)Show SMILES CN1C2CCC1[C@@H](C=C)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:11:9:1:4.3,0:1:6.9.10:4.3| Show InChI InChI=1S/C16H20ClN/c1-3-14-15(11-4-6-12(17)7-5-11)10-13-8-9-16(14)18(13)2/h3-7,13-16H,1,8-10H2,2H3/t13?,14-,15+,16?/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to displace [3H]-Mazindol from dopamine receptor |
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)) | 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
| Article
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to displace [3H]mazindol from dopamine transporter |
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)) | BDBM50032533
((2S,3S)-3-(4-Chloro-phenyl)-2-ethyl-8-methyl-8-aza...)Show SMILES CC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:9:8:16:4.5,THB:1:2:16:4.5,17:16:8.2.7:4.5| Show InChI InChI=1S/C16H22ClN/c1-3-14-15(11-4-6-12(17)7-5-11)10-13-8-9-16(14)18(13)2/h4-7,13-16H,3,8-10H2,1-2H3/t13?,14-,15+,16?/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against [3H]dopamine uptake |
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)) | BDBM50004169
((2S,3S)-3-(4-Chloro-phenyl)-8-methyl-2-vinyl-8-aza...)Show SMILES CN1C2CCC1[C@@H](C=C)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:11:9:1:4.3,0:1:6.9.10:4.3| Show InChI InChI=1S/C16H20ClN/c1-3-14-15(11-4-6-12(17)7-5-11)10-13-8-9-16(14)18(13)2/h3-7,13-16H,1,8-10H2,2H3/t13?,14-,15+,16?/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against [3H]dopamine uptake |
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)) | 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
| Article
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]mazindol from dopamine transporter |
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)) | BDBM50032533
((2S,3S)-3-(4-Chloro-phenyl)-2-ethyl-8-methyl-8-aza...)Show SMILES CC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:9:8:16:4.5,THB:1:2:16:4.5,17:16:8.2.7:4.5| Show InChI InChI=1S/C16H22ClN/c1-3-14-15(11-4-6-12(17)7-5-11)10-13-8-9-16(14)18(13)2/h4-7,13-16H,3,8-10H2,1-2H3/t13?,14-,15+,16?/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity was determined for platelet thromboxane receptor in presence of [3H]-SQ 29548 |
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)) | BDBM50281975
((1R)-1-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azab...)Show SMILES CN1C2CCC1[C@@H](C(O)C(F)(F)F)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:0:1:6.13.14:4.3,15:13:1:4.3| Show InChI InChI=1S/C16H19ClF3NO/c1-21-11-6-7-13(21)14(15(22)16(18,19)20)12(8-11)9-2-4-10(17)5-3-9/h2-5,11-15,22H,6-8H2,1H3/t11?,12-,13?,14+,15?/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]mazindol from dopamine transporter |
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)) | BDBM50281975
((1R)-1-[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azab...)Show SMILES CN1C2CCC1[C@@H](C(O)C(F)(F)F)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:0:1:6.13.14:4.3,15:13:1:4.3| Show InChI InChI=1S/C16H19ClF3NO/c1-21-11-6-7-13(21)14(15(22)16(18,19)20)12(8-11)9-2-4-10(17)5-3-9/h2-5,11-15,22H,6-8H2,1H3/t11?,12-,13?,14+,15?/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against [3H]dopamine uptake |
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)) | BDBM50449824
(CHEMBL2115570)Show SMILES [H][C@@]1(CC2CCC([C@@H]1C=CCl)N2C)c1ccc(Cl)cc1 |TLB:13:1:11:5.4,THB:8:7:11:5.4,12:11:7.1.2:5.4| 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/t13?,14-,15-,16?/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against [3H]dopamine uptake |
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)) | BDBM50449824
(CHEMBL2115570)Show SMILES [H][C@@]1(CC2CCC([C@@H]1C=CCl)N2C)c1ccc(Cl)cc1 |TLB:13:1:11:5.4,THB:8:7:11:5.4,12:11:7.1.2:5.4| 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/t13?,14-,15-,16?/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 19 | 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)) | BDBM50449824
(CHEMBL2115570)Show SMILES [H][C@@]1(CC2CCC([C@@H]1C=CCl)N2C)c1ccc(Cl)cc1 |TLB:13:1:11:5.4,THB:8:7:11:5.4,12:11:7.1.2:5.4| 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/t13?,14-,15-,16?/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]mazindol from dopamine transporter |
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)) | BDBM50449824
(CHEMBL2115570)Show SMILES [H][C@@]1(CC2CCC([C@@H]1C=CCl)N2C)c1ccc(Cl)cc1 |TLB:13:1:11:5.4,THB:8:7:11:5.4,12:11:7.1.2:5.4| 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/t13?,14-,15-,16?/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]mazindol from dopamine transporter |
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)) | BDBM50084717
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against [3H]dopamine uptake |
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)) | BDBM50084717
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]mazindol from dopamine transporter |
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)) | BDBM50281972
(1-[(2R,3S)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicy...)Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)C(F)(F)F |TLB:16:6:1:4.3,THB:0:1:6.7.8:4.3,9:7:1:4.3| Show InChI InChI=1S/C16H17ClF3NO/c1-21-11-6-7-13(21)14(15(22)16(18,19)20)12(8-11)9-2-4-10(17)5-3-9/h2-5,11-14H,6-8H2,1H3/t11?,12-,13?,14-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 377 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against [3H]dopamine uptake |
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)) | BDBM50281973
(1-[(2R,3S)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicy...)Show SMILES CN1C2CCC1[C@H](C(O)C(F)(F)F)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:0:1:6.13.14:4.3,15:13:1:4.3| Show InChI InChI=1S/C16H19ClF3NO/c1-21-11-6-7-13(21)14(15(22)16(18,19)20)12(8-11)9-2-4-10(17)5-3-9/h2-5,11-15,22H,6-8H2,1H3/t11?,12-,13?,14-,15?/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 525 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against [3H]dopamine uptake |
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)) | BDBM50281973
(1-[(2R,3S)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicy...)Show SMILES CN1C2CCC1[C@H](C(O)C(F)(F)F)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:0:1:6.13.14:4.3,15:13:1:4.3| Show InChI InChI=1S/C16H19ClF3NO/c1-21-11-6-7-13(21)14(15(22)16(18,19)20)12(8-11)9-2-4-10(17)5-3-9/h2-5,11-15,22H,6-8H2,1H3/t11?,12-,13?,14-,15?/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 525 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against [3H]dopamine uptake |
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)) | BDBM50281973
(1-[(2R,3S)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicy...)Show SMILES CN1C2CCC1[C@H](C(O)C(F)(F)F)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:0:1:6.13.14:4.3,15:13:1:4.3| Show InChI InChI=1S/C16H19ClF3NO/c1-21-11-6-7-13(21)14(15(22)16(18,19)20)12(8-11)9-2-4-10(17)5-3-9/h2-5,11-15,22H,6-8H2,1H3/t11?,12-,13?,14-,15?/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]mazindol from dopamine transporter |
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)) | BDBM50281973
(1-[(2R,3S)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicy...)Show SMILES CN1C2CCC1[C@H](C(O)C(F)(F)F)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:0:1:6.13.14:4.3,15:13:1:4.3| Show InChI InChI=1S/C16H19ClF3NO/c1-21-11-6-7-13(21)14(15(22)16(18,19)20)12(8-11)9-2-4-10(17)5-3-9/h2-5,11-15,22H,6-8H2,1H3/t11?,12-,13?,14-,15?/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]mazindol from dopamine transporter |
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)) | BDBM50281972
(1-[(2R,3S)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicy...)Show SMILES CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)C(F)(F)F |TLB:16:6:1:4.3,THB:0:1:6.7.8:4.3,9:7:1:4.3| Show InChI InChI=1S/C16H17ClF3NO/c1-21-11-6-7-13(21)14(15(22)16(18,19)20)12(8-11)9-2-4-10(17)5-3-9/h2-5,11-14H,6-8H2,1H3/t11?,12-,13?,14-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]mazindol from dopamine transporter |
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 | |
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