Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50177767' 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 noradrenaline transporter
(Homo sapiens (Human)) | BDBM50177767
(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCN3C4CCC3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:39.53,40.44,TLB:33:34:37.36:39.40.41,50:39:37.36:34,(9.98,-40.52,;8.63,-39.74,;8.63,-38.19,;9.98,-37.41,;11.32,-38.19,;7.29,-37.41,;7.28,-35.86,;5.93,-35.08,;4.6,-35.87,;3.26,-35.11,;3.25,-33.56,;4.58,-32.77,;4.57,-31.23,;3.23,-30.47,;1.89,-31.25,;1.9,-32.8,;.57,-33.58,;-.76,-34.36,;1.34,-34.91,;-.22,-32.25,;3.22,-28.93,;1.67,-28.94,;4.76,-28.91,;3.21,-27.39,;4.55,-26.62,;5.88,-27.39,;7.21,-26.62,;7.22,-25.08,;8.55,-24.32,;9.89,-25.09,;9.88,-26.63,;11.22,-24.33,;12.55,-25.1,;12.55,-26.64,;13.88,-27.42,;13.91,-29.95,;12.92,-30.66,;13.22,-29.22,;14.52,-28.51,;15.93,-29.14,;16.3,-30.6,;15.29,-29.88,;17.67,-31.02,;18.71,-30.04,;20.08,-30.45,;20.41,-31.86,;21.78,-32.27,;19.36,-32.84,;19.68,-34.23,;17.99,-32.42,;17.26,-28.36,;17.25,-26.82,;18.6,-29.13,;19.93,-28.35,;1.92,-35.88,;.58,-35.11,;-.76,-35.89,;-.75,-37.44,;.59,-38.21,;1.92,-37.43,;3.27,-38.2,;4.6,-37.42,;5.94,-38.19,;-2.1,-38.21,;-3.44,-37.44,;-4.78,-38.21,;-2.09,-39.76,;-3.44,-40.53,)| 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
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 91 | 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 2,5,6-[3H]-dopamine uptake at human NET expressed in African green monkey COS7 cells incubated for 10 mins prior to radioligand additio... |
ACS Med Chem Lett 5: 696-9 (2014)
Article DOI: 10.1021/ml5000806
BindingDB Entry DOI: 10.7270/Q2XW4MCV |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50177767
(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCN3C4CCC3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:39.53,40.44,TLB:33:34:37.36:39.40.41,50:39:37.36:34,(9.98,-40.52,;8.63,-39.74,;8.63,-38.19,;9.98,-37.41,;11.32,-38.19,;7.29,-37.41,;7.28,-35.86,;5.93,-35.08,;4.6,-35.87,;3.26,-35.11,;3.25,-33.56,;4.58,-32.77,;4.57,-31.23,;3.23,-30.47,;1.89,-31.25,;1.9,-32.8,;.57,-33.58,;-.76,-34.36,;1.34,-34.91,;-.22,-32.25,;3.22,-28.93,;1.67,-28.94,;4.76,-28.91,;3.21,-27.39,;4.55,-26.62,;5.88,-27.39,;7.21,-26.62,;7.22,-25.08,;8.55,-24.32,;9.89,-25.09,;9.88,-26.63,;11.22,-24.33,;12.55,-25.1,;12.55,-26.64,;13.88,-27.42,;13.91,-29.95,;12.92,-30.66,;13.22,-29.22,;14.52,-28.51,;15.93,-29.14,;16.3,-30.6,;15.29,-29.88,;17.67,-31.02,;18.71,-30.04,;20.08,-30.45,;20.41,-31.86,;21.78,-32.27,;19.36,-32.84,;19.68,-34.23,;17.99,-32.42,;17.26,-28.36,;17.25,-26.82,;18.6,-29.13,;19.93,-28.35,;1.92,-35.88,;.58,-35.11,;-.76,-35.89,;-.75,-37.44,;.59,-38.21,;1.92,-37.43,;3.27,-38.2,;4.6,-37.42,;5.94,-38.19,;-2.1,-38.21,;-3.44,-37.44,;-4.78,-38.21,;-2.09,-39.76,;-3.44,-40.53,)| 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
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
Displacement of [3H]dopamine from human NET 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 | |
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