Found 2 hits for monomerid = 50021112 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 serotonin transporter
(Homo sapiens (Human)) | BDBM50021112
(CHEMBL3287654)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCCCCN(C)CCC[C@]3(OCc4cc(ccc34)C#N)c3ccc(F)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wD:42.42,(4.73,-24.46,;6.07,-25.23,;6.07,-26.77,;4.73,-27.54,;3.41,-26.77,;7.4,-27.54,;7.4,-29.08,;8.73,-29.86,;10.07,-29.08,;11.4,-29.84,;11.4,-31.38,;10.07,-32.15,;10.07,-33.69,;11.41,-34.46,;12.75,-33.67,;12.74,-32.14,;14.06,-31.36,;15.4,-32.12,;13.28,-30.02,;14.83,-30.02,;11.41,-35.99,;10.63,-37.32,;9.87,-35.99,;12.75,-36.76,;14.08,-35.99,;15.42,-36.75,;16.75,-35.98,;18.09,-36.74,;19.42,-35.96,;20.75,-36.73,;20.76,-38.27,;22.08,-35.95,;23.42,-36.72,;24.75,-35.94,;26.09,-36.71,;27.42,-35.93,;28.76,-36.7,;30.09,-35.92,;30.08,-34.38,;31.42,-36.69,;32.75,-35.91,;34.09,-36.68,;34.1,-38.22,;32.86,-39.13,;33.34,-40.6,;34.88,-40.58,;35.91,-41.72,;37.41,-41.4,;37.87,-39.93,;36.84,-38.8,;35.35,-39.12,;38.44,-42.53,;39.48,-43.67,;35.19,-37.11,;36.69,-37.51,;37.78,-36.41,;37.36,-34.91,;38.44,-33.81,;35.85,-34.52,;34.77,-35.63,;12.73,-29.07,;14.08,-29.83,;15.41,-29.05,;15.4,-27.5,;14.06,-26.74,;12.73,-27.52,;11.39,-26.76,;10.07,-27.53,;8.73,-26.77,;16.73,-26.72,;16.71,-25.18,;18.04,-24.39,;18.07,-27.47,;19.39,-26.69,)| Show InChI InChI=1S/C57H69FN6O8S2/c1-6-63(7-2)45-23-26-48-52(36-45)72-53-37-46(64(8-3)9-4)24-27-49(53)56(48)50-28-25-47(38-54(50)74(68,69)70)73(66,67)61-32-14-10-12-17-55(65)60-31-13-11-15-33-62(5)34-16-30-57(43-19-21-44(58)22-20-43)51-29-18-41(39-59)35-42(51)40-71-57/h18-29,35-38,61H,6-17,30-34,40H2,1-5H3,(H-,60,65,68,69,70)/t57-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 180 | 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]-S-citalopram from human SERT expressed in African green monkey COS7 cells incubated for 10 mins prior to [3H]-S-citalopram addit... |
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 serotonin transporter
(Homo sapiens (Human)) | BDBM50021112
(CHEMBL3287654)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCCCCN(C)CCC[C@]3(OCc4cc(ccc34)C#N)c3ccc(F)cc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wD:42.42,(4.73,-24.46,;6.07,-25.23,;6.07,-26.77,;4.73,-27.54,;3.41,-26.77,;7.4,-27.54,;7.4,-29.08,;8.73,-29.86,;10.07,-29.08,;11.4,-29.84,;11.4,-31.38,;10.07,-32.15,;10.07,-33.69,;11.41,-34.46,;12.75,-33.67,;12.74,-32.14,;14.06,-31.36,;15.4,-32.12,;13.28,-30.02,;14.83,-30.02,;11.41,-35.99,;10.63,-37.32,;9.87,-35.99,;12.75,-36.76,;14.08,-35.99,;15.42,-36.75,;16.75,-35.98,;18.09,-36.74,;19.42,-35.96,;20.75,-36.73,;20.76,-38.27,;22.08,-35.95,;23.42,-36.72,;24.75,-35.94,;26.09,-36.71,;27.42,-35.93,;28.76,-36.7,;30.09,-35.92,;30.08,-34.38,;31.42,-36.69,;32.75,-35.91,;34.09,-36.68,;34.1,-38.22,;32.86,-39.13,;33.34,-40.6,;34.88,-40.58,;35.91,-41.72,;37.41,-41.4,;37.87,-39.93,;36.84,-38.8,;35.35,-39.12,;38.44,-42.53,;39.48,-43.67,;35.19,-37.11,;36.69,-37.51,;37.78,-36.41,;37.36,-34.91,;38.44,-33.81,;35.85,-34.52,;34.77,-35.63,;12.73,-29.07,;14.08,-29.83,;15.41,-29.05,;15.4,-27.5,;14.06,-26.74,;12.73,-27.52,;11.39,-26.76,;10.07,-27.53,;8.73,-26.77,;16.73,-26.72,;16.71,-25.18,;18.04,-24.39,;18.07,-27.47,;19.39,-26.69,)| Show InChI InChI=1S/C57H69FN6O8S2/c1-6-63(7-2)45-23-26-48-52(36-45)72-53-37-46(64(8-3)9-4)24-27-49(53)56(48)50-28-25-47(38-54(50)74(68,69)70)73(66,67)61-32-14-10-12-17-55(65)60-31-13-11-15-33-62(5)34-16-30-57(43-19-21-44(58)22-20-43)51-29-18-41(39-59)35-42(51)40-71-57/h18-29,35-38,61H,6-17,30-34,40H2,1-5H3,(H-,60,65,68,69,70)/t57-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 250 | 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 5-hydroxy[3H]tryptamine uptake at human SERT expressed in African green monkey COS7 cells incubated for 10 mins prior to radioligand ad... |
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 | |
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