Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50017984 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)) | BDBM50189523
(CHEMBL379107 | N-(4-(3-(4-(2-(bis(4-fluorophenyl)m...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccc(NC(=O)CCCCCCCCCCNC(=O)CCCCC3SCC4NC(=O)NC34)cc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C49H68F2N6O4S/c50-40-22-18-38(19-23-40)48(39-20-24-41(51)25-21-39)61-35-34-57-32-30-56(31-33-57)29-11-12-37-16-26-42(27-17-37)53-46(59)15-7-5-3-1-2-4-6-10-28-52-45(58)14-9-8-13-44-47-43(36-62-44)54-49(60)55-47/h16-27,43-44,47-48H,1-15,28-36H2,(H,52,58)(H,53,59)(H2,54,55,60) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter |
Bioorg Med Chem Lett 16: 4664-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.097
BindingDB Entry DOI: 10.7270/Q26H4H1T |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50189522
(CHEMBL375179 | N-(4-(3-(4-(2-(benzhydryloxy)ethyl)...)Show SMILES SCCCCCCCCCCC(=O)Nc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C39H55N3O2S/c43-38(21-13-5-3-1-2-4-6-14-33-45)40-37-24-22-34(23-25-37)16-15-26-41-27-29-42(30-28-41)31-32-44-39(35-17-9-7-10-18-35)36-19-11-8-12-20-36/h7-12,17-20,22-25,39,45H,1-6,13-16,21,26-33H2,(H,40,43) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter |
Bioorg Med Chem Lett 16: 4664-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.097
BindingDB Entry DOI: 10.7270/Q26H4H1T |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50189524
(CHEMBL378039 | N-(4-(3-(4-(2-(benzhydryloxy)ethyl)...)Show SMILES O=C(CCCCC1SCC2NC(=O)NC12)Nc1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C38H49N5O3S/c44-35(16-8-7-15-34-36-33(28-47-34)40-38(45)41-36)39-32-19-17-29(18-20-32)10-9-21-42-22-24-43(25-23-42)26-27-46-37(30-11-3-1-4-12-30)31-13-5-2-6-14-31/h1-6,11-14,17-20,33-34,36-37H,7-10,15-16,21-28H2,(H,39,44)(H2,40,41,45) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter |
Bioorg Med Chem Lett 16: 4664-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.097
BindingDB Entry DOI: 10.7270/Q26H4H1T |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50189526
(CHEMBL263770 | N-(4-(3-(4-(2-(bis(4-fluorophenyl)m...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccc(NC(=O)CCCCCCCCCCS)cc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C39H53F2N3O2S/c40-35-18-14-33(15-19-35)39(34-16-20-36(41)21-17-34)46-30-29-44-27-25-43(26-28-44)24-9-10-32-12-22-37(23-13-32)42-38(45)11-7-5-3-1-2-4-6-8-31-47/h12-23,39,47H,1-11,24-31H2,(H,42,45) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter |
Bioorg Med Chem Lett 16: 4664-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.097
BindingDB Entry DOI: 10.7270/Q26H4H1T |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50189525
(CHEMBL213143 | N-(4-(3-(4-(2-(bis(4-fluorophenyl)m...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccc(NC(=O)CCCCC3SCC4NC(=O)NC34)cc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C38H47F2N5O3S/c39-30-13-9-28(10-14-30)37(29-11-15-31(40)16-12-29)48-25-24-45-22-20-44(21-23-45)19-3-4-27-7-17-32(18-8-27)41-35(46)6-2-1-5-34-36-33(26-49-34)42-38(47)43-36/h7-18,33-34,36-37H,1-6,19-26H2,(H,41,46)(H2,42,43,47) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter |
Bioorg Med Chem Lett 16: 4664-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.097
BindingDB Entry DOI: 10.7270/Q26H4H1T |
More data for this
Ligand-Target Pair | |
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