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BDBM50149871 (R)-2-((3-(biphenyl-4-yloxy)-3-(4-fluorophenyl)propyl)(methyl)amino)acetic acid::CHEMBL180966::{[(R)-3-(biphenyl-4-yloxy)-3-(4-fluoro-phenyl)-propyl]-methyl-amino}-acetic acid

SMILES: CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O

InChI Key: InChIKey=FDORQEIHOKEJNX-HSZRJFAPSA-N

Data: 9 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50149871   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycine transporter 2


(Homo sapiens (Human))
BDBM50149871
PNG
((R)-2-((3-(biphenyl-4-yloxy)-3-(4-fluorophenyl)pro...)
Show SMILES CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O
Show InChI InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [14C]glycine reuptake at human GlyT2 expressed in BE(2)-C cells


Bioorg Med Chem Lett 17: 5233-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.074
BindingDB Entry DOI: 10.7270/Q28915K8
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50149871
PNG
((R)-2-((3-(biphenyl-4-yloxy)-3-(4-fluorophenyl)pro...)
Show SMILES CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O
Show InChI InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
GALR1


(RAT)
BDBM50149871
PNG
((R)-2-((3-(biphenyl-4-yloxy)-3-(4-fluorophenyl)pro...)
Show SMILES CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O
Show InChI InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at rat glycine transporter 1 expressed in african green monkey COS7 cells


Bioorg Med Chem Lett 18: 6321-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.104
BindingDB Entry DOI: 10.7270/Q2BZ65WC
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50149871
PNG
((R)-2-((3-(biphenyl-4-yloxy)-3-(4-fluorophenyl)pro...)
Show SMILES CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O
Show InChI InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
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n/an/a 0.390n/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in human JAR cells assessed as inhibition of [3H]glycine uptake preincubated for 1 mins measured after 2 hrs by liquid scintillat...


Bioorg Med Chem 19: 6245-53 (2011)


Article DOI: 10.1016/j.bmc.2011.09.010
BindingDB Entry DOI: 10.7270/Q20V8D7C
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50149871
PNG
((R)-2-((3-(biphenyl-4-yloxy)-3-(4-fluorophenyl)pro...)
Show SMILES CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O
Show InChI InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



The University of Texas at El Paso

Curated by ChEMBL


Assay Description
Inhibition of human GlyT2 expressed in porcine aorta epithelial cells assessed as reduction in [3H]-Glycine uptake at pH 7.5 by scintillation spectro...


ACS Med Chem Lett 10: 904-910 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00003
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50149871
PNG
((R)-2-((3-(biphenyl-4-yloxy)-3-(4-fluorophenyl)pro...)
Show SMILES CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O
Show InChI InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Albany College of Pharmacy and Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human GlyT-1


J Med Chem 61: 2652-2679 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00956
BindingDB Entry DOI: 10.7270/Q23B62RZ
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50149871
PNG
((R)-2-((3-(biphenyl-4-yloxy)-3-(4-fluorophenyl)pro...)
Show SMILES CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O
Show InChI InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1 expressed in QT6 cells assessed as reduction in [14C]glycine uptake incubated for 20 mins by liquid scintillation counting ...


J Med Chem 63: 3834-3867 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01237
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50149871
PNG
((R)-2-((3-(biphenyl-4-yloxy)-3-(4-fluorophenyl)pro...)
Show SMILES CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O
Show InChI InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



The University of Texas at El Paso

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1 expressed in porcine aorta epithelial cells assessed as reduction in [3H]-Glycine uptake incubated for 10 mins at pH 7.4 by...


ACS Med Chem Lett 10: 904-910 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00003
More data for this
Ligand-Target Pair
Glycine transporter 1


(attus norvegicus (Rat))
BDBM50149871
PNG
((R)-2-((3-(biphenyl-4-yloxy)-3-(4-fluorophenyl)pro...)
Show SMILES CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O
Show InChI InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair