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BDBM50460369 CHEMBL4229192

SMILES: CN1CC2CCC1(CC2)[C@H](NC(=O)c1cccc(c1Cl)C(F)(F)F)c1ccccc1

InChI Key: InChIKey=DEXIHFHWGDUZEE-YOMPXFNTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50460369   
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))		BDBM50460369
PNG
(CHEMBL4229192)
Show SMILES CN1CC2CCC1(CC2)[C@H](NC(=O)c1cccc(c1Cl)C(F)(F)F)c1ccccc1 |r,wU:9.11,(38.41,-40.07,;38.41,-38.51,;37.06,-37.73,;37.06,-36.17,;38.41,-35.37,;39.77,-36.17,;39.77,-37.73,;39.16,-36.39,;38.05,-37.51,;41.12,-38.51,;41.12,-40.05,;42.45,-40.83,;43.78,-40.06,;42.45,-42.36,;41.11,-43.12,;41.11,-44.66,;42.45,-45.43,;43.78,-44.65,;43.77,-43.12,;45.11,-42.35,;45.11,-45.42,;46.44,-46.18,;46.44,-44.64,;45.12,-46.96,;42.45,-37.74,;42.44,-36.21,;43.77,-35.44,;45.12,-36.21,;45.11,-37.75,;43.78,-38.52,)|
Show InChI InChI=1S/C23H24ClF3N2O/c1-29-14-15-10-12-22(29,13-11-15)20(16-6-3-2-4-7-16)28-21(30)17-8-5-9-18(19(17)24)23(25,26)27/h2-9,15,20H,10-14H2,1H3,(H,28,30)/t15?,20-,22?/m1/s1
PDB

KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...

Bioorg Med Chem Lett 28: 1043-1049 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.029
BindingDB Entry DOI: 10.7270/Q26112ZK
More data for this
Ligand-Target Pair