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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent glycine transporter 1' and Ligand = 'BDBM50365388'   
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- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50365388
PNG
(CHEMBL4165362)
Show SMILES [H][C@]1(CCc2ccccc12)N[C@H]1CN(C[C@@H]1c1ccc(F)cc1)S(=O)(=O)c1cn(C)cn1 |r|
Show InChI InChI=1S/C23H25FN4O2S/c1-27-14-23(25-15-27)31(29,30)28-12-20(17-6-9-18(24)10-7-17)22(13-28)26-21-11-8-16-4-2-3-5-19(16)21/h2-7,9-10,14-15,20-22,26H,8,11-13H2,1H3/t20-,21-,22+/m1/s1
PDB

KEGG

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PC cid
PC sid
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Article
PubMed
 1n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...

J Med Chem 61: 7486-7502 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00295
BindingDB Entry DOI: 10.7270/Q2CC137K
More data for this
Ligand-Target Pair