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BDBM50368765 CHEMBL4160909

SMILES: CCCS(=O)(=O)NCc1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1

InChI Key: InChIKey=DJLSISKBWFDNCU-IVKSZEGGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50368765   
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))		BDBM50368765
PNG
(CHEMBL4160909)
Show SMILES CCCS(=O)(=O)NCc1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r|
Show InChI InChI=1S/C44H61N7O14/c1-23(2)17-29(38(58)48-33(22-36(56)57)41(61)50-34(44(64)65)20-28-15-11-8-12-16-28)46-40(60)32(21-35(54)55)47-39(59)30(18-24(3)4)49-43(63)37(25(5)52)51-42(62)31(45-26(6)53)19-27-13-9-7-10-14-27/h7-16,23-25,29-34,37,52H,17-22H2,1-6H3,(H,45,53)(H,46,60)(H,47,59)(H,48,58)(H,49,63)(H,50,61)(H,51,62)(H,54,55)(H,56,57)(H,64,65)/t25-,29-,30-,31-,32-,33-,34-,37-/m0/s1
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Similars
Article
PubMed
 71n/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