Found 3 hits for monomerid = 50428499 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)) | BDBM50428499
(CHEMBL2336611)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCN3[C@@H]4CC[C@@H]3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:35.35,38.39,39.53,40.44,TLB:50:39:34:36.37,THB:33:34:40.41.39:36.37,42:40:34:36.37,(30.38,-12.98,;30.41,-14.51,;29.1,-15.31,;29.13,-16.85,;27.81,-17.65,;27.75,-14.57,;26.42,-15.37,;25.06,-14.63,;25.03,-13.08,;23.7,-12.33,;22.38,-13.12,;22.4,-14.66,;21.07,-15.45,;19.74,-14.7,;19.71,-13.15,;21.03,-12.36,;21.01,-10.82,;19.66,-10.08,;21.4,-9.33,;22.52,-11.21,;18.41,-15.49,;19.19,-16.82,;17.65,-16.84,;17.07,-14.74,;15.75,-15.53,;14.4,-14.78,;13.08,-15.57,;11.73,-14.82,;10.41,-15.61,;9.07,-14.86,;9.04,-13.32,;7.75,-15.64,;7.73,-17.17,;6.42,-17.97,;6.46,-19.51,;6.72,-21.05,;5.73,-22.4,;6.91,-21.68,;7.52,-20.34,;9.27,-20.31,;9.54,-21.86,;8.56,-21.05,;10.31,-23.19,;11.84,-23.18,;12.62,-24.5,;11.85,-25.85,;12.62,-27.18,;10.31,-25.85,;9.54,-27.19,;9.54,-24.52,;10.09,-19.01,;9.38,-17.65,;11.63,-19.07,;12.35,-20.44,;23.67,-10.79,;22.33,-10.05,;22.29,-8.52,;23.61,-7.72,;24.96,-8.46,;24.98,-10,;26.33,-10.74,;26.36,-12.28,;27.71,-13.02,;23.58,-6.18,;22.23,-5.44,;20.91,-6.24,;24.89,-5.38,;26.23,-6.13,)| Show InChI InChI=1S/C50H61Cl2N5O9S2/c1-6-55(7-2)33-15-19-37-44(29-33)66-45-30-34(56(8-3)9-4)16-20-38(45)48(37)39-21-18-36(31-46(39)68(62,63)64)67(60,61)54-24-12-10-11-13-47(58)53-25-26-57-35-17-23-43(57)49(50(59)65-5)40(28-35)32-14-22-41(51)42(52)27-32/h14-16,18-22,27,29-31,35,40,43,49,54H,6-13,17,23-26,28H2,1-5H3,(H-,53,58,62,63,64)/t35-,40-,43-,49+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 62 | 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
Inhibition of [3H]dopamine uptake at human DAT expressed in COS7 cells after 3 mins by beta-counting |
Bioorg Med Chem Lett 23: 323-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.089
BindingDB Entry DOI: 10.7270/Q23J3F85 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50428499
(CHEMBL2336611)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCN3[C@@H]4CC[C@@H]3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:35.35,38.39,39.53,40.44,TLB:50:39:34:36.37,THB:33:34:40.41.39:36.37,42:40:34:36.37,(30.38,-12.98,;30.41,-14.51,;29.1,-15.31,;29.13,-16.85,;27.81,-17.65,;27.75,-14.57,;26.42,-15.37,;25.06,-14.63,;25.03,-13.08,;23.7,-12.33,;22.38,-13.12,;22.4,-14.66,;21.07,-15.45,;19.74,-14.7,;19.71,-13.15,;21.03,-12.36,;21.01,-10.82,;19.66,-10.08,;21.4,-9.33,;22.52,-11.21,;18.41,-15.49,;19.19,-16.82,;17.65,-16.84,;17.07,-14.74,;15.75,-15.53,;14.4,-14.78,;13.08,-15.57,;11.73,-14.82,;10.41,-15.61,;9.07,-14.86,;9.04,-13.32,;7.75,-15.64,;7.73,-17.17,;6.42,-17.97,;6.46,-19.51,;6.72,-21.05,;5.73,-22.4,;6.91,-21.68,;7.52,-20.34,;9.27,-20.31,;9.54,-21.86,;8.56,-21.05,;10.31,-23.19,;11.84,-23.18,;12.62,-24.5,;11.85,-25.85,;12.62,-27.18,;10.31,-25.85,;9.54,-27.19,;9.54,-24.52,;10.09,-19.01,;9.38,-17.65,;11.63,-19.07,;12.35,-20.44,;23.67,-10.79,;22.33,-10.05,;22.29,-8.52,;23.61,-7.72,;24.96,-8.46,;24.98,-10,;26.33,-10.74,;26.36,-12.28,;27.71,-13.02,;23.58,-6.18,;22.23,-5.44,;20.91,-6.24,;24.89,-5.38,;26.23,-6.13,)| Show InChI InChI=1S/C50H61Cl2N5O9S2/c1-6-55(7-2)33-15-19-37-44(29-33)66-45-30-34(56(8-3)9-4)16-20-38(45)48(37)39-21-18-36(31-46(39)68(62,63)64)67(60,61)54-24-12-10-11-13-47(58)53-25-26-57-35-17-23-43(57)49(50(59)65-5)40(28-35)32-14-22-41(51)42(52)27-32/h14-16,18-22,27,29-31,35,40,43,49,54H,6-13,17,23-26,28H2,1-5H3,(H-,53,58,62,63,64)/t35-,40-,43-,49+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 194 | 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
Inhibition of [3H]dopamine uptake at human NET expressed in COS7 cells after 5 mins by beta-counting |
Bioorg Med Chem Lett 23: 323-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.089
BindingDB Entry DOI: 10.7270/Q23J3F85 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50428499
(CHEMBL2336611)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCN3[C@@H]4CC[C@@H]3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:35.35,38.39,39.53,40.44,TLB:50:39:34:36.37,THB:33:34:40.41.39:36.37,42:40:34:36.37,(30.38,-12.98,;30.41,-14.51,;29.1,-15.31,;29.13,-16.85,;27.81,-17.65,;27.75,-14.57,;26.42,-15.37,;25.06,-14.63,;25.03,-13.08,;23.7,-12.33,;22.38,-13.12,;22.4,-14.66,;21.07,-15.45,;19.74,-14.7,;19.71,-13.15,;21.03,-12.36,;21.01,-10.82,;19.66,-10.08,;21.4,-9.33,;22.52,-11.21,;18.41,-15.49,;19.19,-16.82,;17.65,-16.84,;17.07,-14.74,;15.75,-15.53,;14.4,-14.78,;13.08,-15.57,;11.73,-14.82,;10.41,-15.61,;9.07,-14.86,;9.04,-13.32,;7.75,-15.64,;7.73,-17.17,;6.42,-17.97,;6.46,-19.51,;6.72,-21.05,;5.73,-22.4,;6.91,-21.68,;7.52,-20.34,;9.27,-20.31,;9.54,-21.86,;8.56,-21.05,;10.31,-23.19,;11.84,-23.18,;12.62,-24.5,;11.85,-25.85,;12.62,-27.18,;10.31,-25.85,;9.54,-27.19,;9.54,-24.52,;10.09,-19.01,;9.38,-17.65,;11.63,-19.07,;12.35,-20.44,;23.67,-10.79,;22.33,-10.05,;22.29,-8.52,;23.61,-7.72,;24.96,-8.46,;24.98,-10,;26.33,-10.74,;26.36,-12.28,;27.71,-13.02,;23.58,-6.18,;22.23,-5.44,;20.91,-6.24,;24.89,-5.38,;26.23,-6.13,)| Show InChI InChI=1S/C50H61Cl2N5O9S2/c1-6-55(7-2)33-15-19-37-44(29-33)66-45-30-34(56(8-3)9-4)16-20-38(45)48(37)39-21-18-36(31-46(39)68(62,63)64)67(60,61)54-24-12-10-11-13-47(58)53-25-26-57-35-17-23-43(57)49(50(59)65-5)40(28-35)32-14-22-41(51)42(52)27-32/h14-16,18-22,27,29-31,35,40,43,49,54H,6-13,17,23-26,28H2,1-5H3,(H-,53,58,62,63,64)/t35-,40-,43-,49+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 392 | 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
Inhibition of [3H]5-HT uptake at human SERT expressed in COS7 cells after 3 mins by beta-counting |
Bioorg Med Chem Lett 23: 323-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.089
BindingDB Entry DOI: 10.7270/Q23J3F85 |
More data for this
Ligand-Target Pair | |
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