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BDBM50460368 CHEMBL4226039

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

InChI Key: InChIKey=BNRDMDIOWTXPGH-YOMPXFNTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50460368   
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))		BDBM50460368
PNG
(CHEMBL4226039)
Show SMILES CN1CC2CCC1(CC2)[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 |r,wU:9.11,(28.97,-44.71,;28.97,-43.19,;27.64,-42.43,;27.64,-40.9,;28.97,-40.12,;30.29,-40.9,;30.29,-42.43,;29.69,-41.12,;28.61,-42.21,;31.61,-43.2,;31.61,-44.74,;32.95,-45.51,;34.28,-44.74,;32.94,-47.06,;31.61,-47.82,;31.6,-49.36,;32.94,-50.14,;34.28,-49.36,;35.62,-50.12,;34.28,-47.82,;35.61,-47.04,;32.95,-42.43,;34.28,-43.2,;35.62,-42.43,;35.62,-40.89,;34.28,-40.12,;32.95,-40.89,)|
Show InChI InChI=1S/C22H24Cl2N2O/c1-26-14-15-10-12-22(26,13-11-15)20(16-6-3-2-4-7-16)25-21(27)17-8-5-9-18(23)19(17)24/h2-9,15,20H,10-14H2,1H3,(H,25,27)/t15?,20-,22?/m1/s1
PDB

KEGG

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PC cid
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n/an/a 1n/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