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BDBM50188378 4-(4-fluoro-phenyl)-8-[2-hydroxy-2-(2-trifluoromethoxy-phenyl)-cyclohexyl]-2,8-diaza-spiro[4.5]decan-1-one::CHEMBL213856

SMILES: OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1)c1ccccc1OC(F)(F)F

InChI Key: InChIKey=UDYWGOKNMYMTAE-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50188378   
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))		BDBM50188378
PNG
(4-(4-fluoro-phenyl)-8-[2-hydroxy-2-(2-trifluoromet...)
Show SMILES OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C27H30F4N2O3/c28-19-10-8-18(9-11-19)21-17-32-24(34)25(21)13-15-33(16-14-25)23-7-3-4-12-26(23,35)20-5-1-2-6-22(20)36-27(29,30)31/h1-2,5-6,8-11,21,23,35H,3-4,7,12-17H2,(H,32,34)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.39E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1 by radiometric assay

Bioorg Med Chem Lett 16: 4311-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.058
BindingDB Entry DOI: 10.7270/Q2Z31Z8W
More data for this
Ligand-Target Pair