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PubMed code 16321523

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50178415
PNG
((2S)-2-((2-(4,5-dichloro-6-methoxy-1,3-dioxo-2-phe...)
Show SMILES COc1cc2C(=O)C(CCN(C)[C@@H](C)C(O)=O)(C(=O)c2c(Cl)c1Cl)c1ccccc1
Show InChI InChI=1S/C22H21Cl2NO5/c1-12(21(28)29)25(2)10-9-22(13-7-5-4-6-8-13)19(26)14-11-15(30-3)17(23)18(24)16(14)20(22)27/h4-8,11-12H,9-10H2,1-3H3,(H,28,29)/t12-,22?/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50178423
PNG
(2-((2-(4,5-dichloro-2-(4-fluorophenyl)-6-methoxy-1...)
Show SMILES COc1cc2C(=O)C(CCN(C)CC(O)=O)(C(=O)c2c(Cl)c1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C21H18Cl2FNO5/c1-25(10-15(26)27)8-7-21(11-3-5-12(24)6-4-11)19(28)13-9-14(30-2)17(22)18(23)16(13)20(21)29/h3-6,9H,7-8,10H2,1-2H3,(H,26,27)
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n/an/a 0.950n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50178418
PNG
(2-((2-(4,5-dichloro-6-methoxy-1,3-dioxo-2-phenyl-2...)
Show SMILES COc1cc2C(=O)C(CCN(C)CC(O)=O)(C(=O)c2c(Cl)c1Cl)c1ccccc1
Show InChI InChI=1S/C21H19Cl2NO5/c1-24(11-15(25)26)9-8-21(12-6-4-3-5-7-12)19(27)13-10-14(29-2)17(22)18(23)16(13)20(21)28/h3-7,10H,8-9,11H2,1-2H3,(H,25,26)
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n/an/a 1.90n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50178424
PNG
((2S)-2-((2-(4,5-dichloro-6-methoxy-1,3-dioxo-2-phe...)
Show SMILES COc1cc2C(=O)C(CCN(C)[C@@H](CO)C(O)=O)(C(=O)c2c(Cl)c1Cl)c1ccccc1
Show InChI InChI=1S/C22H21Cl2NO6/c1-25(14(11-26)21(29)30)9-8-22(12-6-4-3-5-7-12)19(27)13-10-15(31-2)17(23)18(24)16(13)20(22)28/h3-7,10,14,26H,8-9,11H2,1-2H3,(H,29,30)/t14-,22?/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50178414
PNG
(2-(2-((R)-sec-butyl(methyl)amino)ethyl)-4,5-dichlo...)
Show SMILES CC[C@@H](C)N(C)CCC1(C(=O)c2cc(OC)c(Cl)c(Cl)c2C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H24Cl2FNO3/c1-5-13(2)27(3)11-10-23(14-6-8-15(26)9-7-14)21(28)16-12-17(30-4)19(24)20(25)18(16)22(23)29/h6-9,12-13H,5,10-11H2,1-4H3/t13-,23?/m1/s1
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n/an/a 6.40n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50024404
PNG
(CHEMBL206698)
Show SMILES CN(CCCCC1(C(=O)c2ccccc2C1=O)c1ccccc1)CC(O)=O
Show InChI InChI=1S/C22H23NO4/c1-23(15-19(24)25)14-8-7-13-22(16-9-3-2-4-10-16)20(26)17-11-5-6-12-18(17)21(22)27/h2-6,9-12H,7-8,13-15H2,1H3,(H,24,25)
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n/an/a 13n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1 at 3 uM

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50178426
PNG
(2-((2-(5,6-dichloro-1,3-dioxo-2-phenyl-2,3-dihydro...)
Show SMILES CN(CCC1(C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccccc1)CC(O)=O
Show InChI InChI=1S/C20H17Cl2NO4/c1-23(11-17(24)25)8-7-20(12-5-3-2-4-6-12)18(26)13-9-15(21)16(22)10-14(13)19(20)27/h2-6,9-10H,7-8,11H2,1H3,(H,24,25)
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n/an/a 19n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50178420
PNG
((2R)-2-((2-(4,5-dichloro-6-methoxy-1,3-dioxo-2-phe...)
Show SMILES COc1cc2C(=O)C(CCN(C)[C@H](C)C(O)=O)(C(=O)c2c(Cl)c1Cl)c1ccccc1
Show InChI InChI=1S/C22H21Cl2NO5/c1-12(21(28)29)25(2)10-9-22(13-7-5-4-6-8-13)19(26)14-11-15(30-3)17(23)18(24)16(14)20(22)27/h4-8,11-12H,9-10H2,1-3H3,(H,28,29)/t12-,22?/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50178417
PNG
(2-((2-(5-chloro-1,3-dioxo-2-phenyl-2,3-dihydro-1H-...)
Show SMILES CN(CCC1(C(=O)c2ccc(Cl)cc2C1=O)c1ccccc1)CC(O)=O
Show InChI InChI=1S/C20H18ClNO4/c1-22(12-17(23)24)10-9-20(13-5-3-2-4-6-13)18(25)15-8-7-14(21)11-16(15)19(20)26/h2-8,11H,9-10,12H2,1H3,(H,23,24)
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n/an/a 28n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50024405
PNG
(CHEMBL382386)
Show SMILES COc1cc2C(=O)C(CCN(C)C(C)(C)C(O)=O)(C(=O)c2c(Cl)c1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C23H22Cl2FNO5/c1-22(2,21(30)31)27(3)10-9-23(12-5-7-13(26)8-6-12)19(28)14-11-15(32-4)17(24)18(25)16(14)20(23)29/h5-8,11H,9-10H2,1-4H3,(H,30,31)
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n/an/a 38n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1 at 3 uM

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50178421
PNG
(2-((2-(4-fluoro-1,3-dioxo-2-phenyl-2,3-dihydro-1H-...)
Show SMILES CN(CCC1(C(=O)c2cccc(F)c2C1=O)c1ccccc1)CC(O)=O
Show InChI InChI=1S/C20H18FNO4/c1-22(12-16(23)24)11-10-20(13-6-3-2-4-7-13)18(25)14-8-5-9-15(21)17(14)19(20)26/h2-9H,10-12H2,1H3,(H,23,24)
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n/an/a 85n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50178422
PNG
(2-((2-(1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-y...)
Show SMILES CN(CCC1(C(=O)c2ccccc2C1=O)c1ccccc1)CC(O)=O
Show InChI InChI=1S/C20H19NO4/c1-21(13-17(22)23)12-11-20(14-7-3-2-4-8-14)18(24)15-9-5-6-10-16(15)19(20)25/h2-10H,11-13H2,1H3,(H,22,23)
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n/an/a 103n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50178416
PNG
((2S)-1-(2-(4,5-dichloro-6-methoxy-1,3-dioxo-2-phen...)
Show SMILES COc1cc2C(=O)C(CCN3CCC[C@H]3C(O)=O)(C(=O)c2c(Cl)c1Cl)c1ccccc1
Show InChI InChI=1S/C23H21Cl2NO5/c1-31-16-12-14-17(19(25)18(16)24)21(28)23(20(14)27,13-6-3-2-4-7-13)9-11-26-10-5-8-15(26)22(29)30/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,29,30)/t15-,23?/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50178419
PNG
((2S)-2-((2-(4,5-dichloro-2-(4-fluorophenyl)-6-meth...)
Show SMILES COc1cc2C(=O)C(CCN(C)[C@H](C(O)=O)c3ccccc3)(C(=O)c2c(Cl)c1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C27H22Cl2FNO5/c1-31(23(26(34)35)15-6-4-3-5-7-15)13-12-27(16-8-10-17(30)11-9-16)24(32)18-14-19(36-2)21(28)22(29)20(18)25(27)33/h3-11,14,23H,12-13H2,1-2H3,(H,34,35)/t23-,27?/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50178425
PNG
(2-((3-(1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-y...)
Show SMILES CN(CCCC1(C(=O)c2ccccc2C1=O)c1ccccc1)CC(O)=O
Show InChI InChI=1S/C21H21NO4/c1-22(14-18(23)24)13-7-12-21(15-8-3-2-4-9-15)19(25)16-10-5-6-11-17(16)20(21)26/h2-6,8-11H,7,12-14H2,1H3,(H,23,24)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1

Bioorg Med Chem Lett 16: 1388-91 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.041
BindingDB Entry DOI: 10.7270/Q29C6X13
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%