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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50285316'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50285316
PNG
(3-(4-{6-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C36H44N6O2/c37-35(43)25-9-15-33-29(19-25)31(21-41-33)23-5-11-27(12-6-23)39-17-3-1-2-4-18-40-28-13-7-24(8-14-28)32-22-42-34-16-10-26(36(38)44)20-30(32)34/h5,7,9-10,15-16,19-22,27-28,39-42H,1-4,6,8,11-14,17-18H2,(H2,37,43)(H2,38,44)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 33.9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Serotonin transporter


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair