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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 = 'BDBM50459917'   
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


(Homo sapiens (Human))		BDBM50459917
PNG
(CHEMBL4228747)
Show SMILES [H][C@]12CC[C@]([H])(CC(C1)Oc1ccc3oc(=O)c(C)cc3c1)N2 |r,TLB:9:7:22:3.2|
Show InChI InChI=1S/C17H19NO3/c1-10-6-11-7-14(4-5-16(11)21-17(10)19)20-15-8-12-2-3-13(9-15)18-12/h4-7,12-13,15,18H,2-3,8-9H2,1H3/t12-,13+,15?
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.720n/an/an/an/an/an/a



Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL


Assay Description
Binding affinity to SERT (unknown origin)

J Med Chem 61: 2133-2165 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01827
BindingDB Entry DOI: 10.7270/Q2BV7K8M
More data for this
Ligand-Target Pair