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BDBM50368771 CHEMBL4166296

SMILES: Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3ccc(Cl)c(Cl)c3)c2c1

InChI Key: InChIKey=QOZRBXWCGGEEMF-MDQUDKJSSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50368771   
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))		BDBM50368771
PNG
(CHEMBL4166296)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3ccc(Cl)c(Cl)c3)c2c1 |r|
Show InChI InChI=1S/C42H58N8O15/c1-21(2)15-27(48-41(63)34(23(4)52)50-40(62)28(46-36(58)26(43)20-51)16-24-11-7-5-8-12-24)38(60)47-29(18-32(53)54)37(59)44-22(3)35(57)45-30(19-33(55)56)39(61)49-31(42(64)65)17-25-13-9-6-10-14-25/h5-14,21-23,26-31,34,51-52H,15-20,43H2,1-4H3,(H,44,59)(H,45,57)(H,46,58)(H,47,60)(H,48,63)(H,49,61)(H,50,62)(H,53,54)(H,55,56)(H,64,65)/t22-,23-,26-,27-,28-,29-,30-,31-,34-/m0/s1
PDB

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Similars
Article
PubMed
 2.60n/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