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BDBM50368698 CHEMBL4161906

SMILES: Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3cccc(c3)C(F)(F)F)c2c1

InChI Key: InChIKey=XKYMEOJCQGGMAS-YADHBBJMSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50368698   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Glycine transporter 1


(Homo sapiens (Human))		BDBM50368698
PNG
(CHEMBL4161906)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3cccc(c3)C(F)(F)F)c2c1 |r|
Show InChI InChI=1S/C24H27F3N4O3S/c1-31-14-23(29-15-31)35(32,33)30-9-10-34-19-7-5-17-6-8-22(28)21(20(17)13-19)12-16-3-2-4-18(11-16)24(25,26)27/h2-5,7,11,13-15,21-22,30H,6,8-10,12,28H2,1H3/t21-,22+/m1/s1
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PC cid
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Similars
Article
PubMed
 0.800n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

Curated by ChEMBL


Assay Description
Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry

J Med Chem 61: 7503-7524 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00300
BindingDB Entry DOI: 10.7270/Q2W66P9B
More data for this
Ligand-Target Pair