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Compile Data Set for Download or QSAR

Found 273 hits with Last Name = 'tiller' and Initial = 'pr'   
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
Glycine transporter 1


(Homo sapiens (Human))
BDBM50195169
PNG
(2,4-dichloro-N-((4-(morpholine-4-carbonyl)-1-(prop...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H29Cl2N3O5S/c1-2-13-32(29,30)26-7-5-21(6-8-26,20(28)25-9-11-31-12-10-25)15-24-19(27)17-4-3-16(22)14-18(17)23/h3-4,14H,2,5-13,15H2,1H3,(H,24,27)
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n/an/a 2.40n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248651
PNG
(2,4-dichloro-N-((4-(6-methylpyridin-2-yl)-1-(propy...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1cccc(C)n1
Show InChI InChI=1S/C22H27Cl2N3O3S/c1-3-13-31(29,30)27-11-9-22(10-12-27,20-6-4-5-16(2)26-20)15-25-21(28)18-8-7-17(23)14-19(18)24/h4-8,14H,3,9-13,15H2,1-2H3,(H,25,28)
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n/an/a 2.5n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248641
PNG
(2-amino-6-chloro-N-((4-phenyl-1-(propylsulfonyl)pi...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1c(N)cccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C23H30ClN3O3S/c1-3-16-31(29,30)27-14-12-23(13-15-27,18-8-5-4-6-9-18)17(2)26-22(28)21-19(24)10-7-11-20(21)25/h4-11,17H,3,12-16,25H2,1-2H3,(H,26,28)/t17-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of glycine transporter 1 (unknown origin) by HTS assay


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135934
PNG
(3-(6-Amino-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-...)
Show SMILES CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248064
PNG
(2,4-dichloro-N-((4-(2-hydroxycyclohexyl)-1-(propyl...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C1CCCCC1O
Show InChI InChI=1S/C22H32Cl2N2O4S/c1-2-13-31(29,30)26-11-9-22(10-12-26,18-5-3-4-6-20(18)27)15-25-21(28)17-8-7-16(23)14-19(17)24/h7-8,14,18,20,27H,2-6,9-13,15H2,1H3,(H,25,28)
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n/an/a 2.80n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt1


Bioorg Med Chem Lett 19: 1492-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.015
BindingDB Entry DOI: 10.7270/Q2B27V5N
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248062
PNG
(2,4-dichloro-N-((1-(propylsulfonyl)-4-((tetrahydro...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CCCCO2)CC1
Show InChI InChI=1S/C22H32Cl2N2O4S/c1-2-13-31(28,29)26-10-8-22(9-11-26,15-18-5-3-4-12-30-18)16-25-21(27)19-7-6-17(23)14-20(19)24/h6-7,14,18H,2-5,8-13,15-16H2,1H3,(H,25,27)
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n/an/a 2.90n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt1


Bioorg Med Chem Lett 19: 1492-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.015
BindingDB Entry DOI: 10.7270/Q2B27V5N
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248058
PNG
((S)-2,4-dichloro-N-(1-(1-(propylsulfonyl)-4-(pyrid...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C22H27Cl2N3O3S/c1-3-14-31(29,30)27-12-9-22(10-13-27,20-6-4-5-11-25-20)16(2)26-21(28)18-8-7-17(23)15-19(18)24/h4-8,11,15-16H,3,9-10,12-14H2,1-2H3,(H,26,28)/t16-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248669
PNG
(2-chloro-N-((4-(6-methylpyridin-2-yl)-1-(propylsul...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)(CC1)c1cccc(C)n1
Show InChI InChI=1S/C22H28ClN3O3S/c1-3-15-30(28,29)26-13-11-22(12-14-26,20-10-6-7-17(2)25-20)16-24-21(27)18-8-4-5-9-19(18)23/h4-10H,3,11-16H2,1-2H3,(H,24,27)
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Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine-1-transporter


(Homo sapiens (Human))
BDBM50195169
PNG
(2,4-dichloro-N-((4-(morpholine-4-carbonyl)-1-(prop...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H29Cl2N3O5S/c1-2-13-32(29,30)26-7-5-21(6-8-26,20(28)25-9-11-31-12-10-25)15-24-19(27)17-4-3-16(22)14-18(17)23/h3-4,14H,2,5-13,15H2,1H3,(H,24,27)
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n/an/a 3.20n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of rat GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248667
PNG
(2,4-dichloro-N-((4-(4-methylpyridin-2-yl)-1-(propy...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1cc(C)ccn1
Show InChI InChI=1S/C22H27Cl2N3O3S/c1-3-12-31(29,30)27-10-7-22(8-11-27,20-13-16(2)6-9-25-20)15-26-21(28)18-5-4-17(23)14-19(18)24/h4-6,9,13-14H,3,7-8,10-12,15H2,1-2H3,(H,26,28)
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n/an/a 3.5n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248059
PNG
((S)-2-chloro-3,5-difluoro-N-(1-(1-(propylsulfonyl)...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1cc(F)cc(F)c1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C22H26ClF2N3O3S/c1-3-12-32(30,31)28-10-7-22(8-11-28,19-6-4-5-9-26-19)15(2)27-21(29)17-13-16(24)14-18(25)20(17)23/h4-6,9,13-15H,3,7-8,10-12H2,1-2H3,(H,27,29)/t15-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248100
PNG
((2,4-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-2-...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ccccn1
Show InChI InChI=1S/C21H25Cl2N3O3S/c1-2-13-30(28,29)26-11-8-21(9-12-26,19-5-3-4-10-24-19)15-25-20(27)17-7-6-16(22)14-18(17)23/h3-7,10,14H,2,8-9,11-13,15H2,1H3,(H,25,27)
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n/an/a 4.40n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248100
PNG
((2,4-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-2-...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ccccn1
Show InChI InChI=1S/C21H25Cl2N3O3S/c1-2-13-30(28,29)26-11-8-21(9-12-26,19-5-3-4-10-24-19)15-25-20(27)17-7-6-16(22)14-18(17)23/h3-7,10,14H,2,8-9,11-13,15H2,1H3,(H,25,27)
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n/an/a 4.40n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt1


Bioorg Med Chem Lett 19: 1492-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.015
BindingDB Entry DOI: 10.7270/Q2B27V5N
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248648
PNG
(3,6-dichloro-2-fluoro-N-((1-(propylsulfonyl)-4-(py...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(F)ccc(F)c2Cl)(CC1)c1ccccn1
Show InChI InChI=1S/C21H24ClF2N3O3S/c1-2-13-31(29,30)27-11-8-21(9-12-27,17-5-3-4-10-25-17)14-26-20(28)18-15(23)6-7-16(24)19(18)22/h3-7,10H,2,8-9,11-14H2,1H3,(H,26,28)
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n/an/a 5.70n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135936
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-butyl-1H-imidazol-4-...)
Show SMILES CCCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C15H20N4O2/c1-2-3-6-19-9-13(18-10-19)12(15(20)21)7-11-4-5-14(16)17-8-11/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,16,17)(H,20,21)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50195181
PNG
(2,4-dichloro-5-fluoro-N-((4-(morpholine-4-carbonyl...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2cc(F)c(Cl)cc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H28Cl2FN3O5S/c1-2-11-33(30,31)27-5-3-21(4-6-27,20(29)26-7-9-32-10-8-26)14-25-19(28)15-12-18(24)17(23)13-16(15)22/h12-13H,2-11,14H2,1H3,(H,25,28)
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n/an/a 6.30n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248646
PNG
(2,6-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-2-y...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(Cl)cccc2Cl)(CC1)c1ccccn1
Show InChI InChI=1S/C21H25Cl2N3O3S/c1-2-14-30(28,29)26-12-9-21(10-13-26,18-8-3-4-11-24-18)15-25-20(27)19-16(22)6-5-7-17(19)23/h3-8,11H,2,9-10,12-15H2,1H3,(H,25,27)
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n/an/a 6.60n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248647
PNG
(2-amino-6-chloro-N-((1-(propylsulfonyl)-4-(pyridin...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(N)cccc2Cl)(CC1)c1ccccn1
Show InChI InChI=1S/C21H27ClN4O3S/c1-2-14-30(28,29)26-12-9-21(10-13-26,18-8-3-4-11-24-18)15-25-20(27)19-16(22)6-5-7-17(19)23/h3-8,11H,2,9-10,12-15,23H2,1H3,(H,25,27)
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n/an/a 6.90n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248653
PNG
(2-chloro-N-((4-(6-methoxypyridin-2-yl)-1-(propylsu...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)(CC1)c1cccc(OC)n1
Show InChI InChI=1S/C22H28ClN3O4S/c1-3-15-31(28,29)26-13-11-22(12-14-26,19-9-6-10-20(25-19)30-2)16-24-21(27)17-7-4-5-8-18(17)23/h4-10H,3,11-16H2,1-2H3,(H,24,27)
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n/an/a 6.90n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine-1-transporter


(Homo sapiens (Human))
BDBM50195181
PNG
(2,4-dichloro-5-fluoro-N-((4-(morpholine-4-carbonyl...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2cc(F)c(Cl)cc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H28Cl2FN3O5S/c1-2-11-33(30,31)27-5-3-21(4-6-27,20(29)26-7-9-32-10-8-26)14-25-19(28)15-12-18(24)17(23)13-16(15)22/h12-13H,2-11,14H2,1H3,(H,25,28)
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n/an/a 7.40n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of rat GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248670
PNG
(2,4-dichloro-N-((4-(6-methoxypyridin-2-yl)-1-(prop...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1cccc(OC)n1
Show InChI InChI=1S/C22H27Cl2N3O4S/c1-3-13-32(29,30)27-11-9-22(10-12-27,19-5-4-6-20(26-19)31-2)15-25-21(28)17-8-7-16(23)14-18(17)24/h4-8,14H,3,9-13,15H2,1-2H3,(H,25,28)
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n/an/a 7.40n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Mus musculus)
BDBM50195169
PNG
(2,4-dichloro-N-((4-(morpholine-4-carbonyl)-1-(prop...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H29Cl2N3O5S/c1-2-13-32(29,30)26-7-5-21(6-8-26,20(28)25-9-11-31-12-10-25)15-24-19(27)17-4-3-16(22)14-18(17)23/h3-4,14H,2,5-13,15H2,1H3,(H,24,27)
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n/an/a 7.60n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135939
PNG
(3-(4,4-Diamino-but-3-enylsulfanyl)-2-mercaptomethy...)
Show SMILES NC(=N)CCCSCC(CS)C(O)=O
Show InChI InChI=1S/C8H16N2O2S2/c9-7(10)2-1-3-14-5-6(4-13)8(11)12/h6,13H,1-5H2,(H3,9,10)(H,11,12)
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n/an/a 8.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50195166
PNG
(3-chloro-2,6-difluoro-N-((4-(morpholine-4-carbonyl...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(F)ccc(Cl)c2F)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H28ClF2N3O5S/c1-2-13-33(30,31)27-7-5-21(6-8-27,20(29)26-9-11-32-12-10-26)14-25-19(28)17-16(23)4-3-15(22)18(17)24/h3-4H,2,5-14H2,1H3,(H,25,28)
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n/an/a 8.40n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248125
PNG
(2,4-dichloro-N-((1-methyl-1'-(propylsulfonyl)-2,4'...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C1CCCCN1C
Show InChI InChI=1S/C22H33Cl2N3O3S/c1-3-14-31(29,30)27-12-9-22(10-13-27,20-6-4-5-11-26(20)2)16-25-21(28)18-8-7-17(23)15-19(18)24/h7-8,15,20H,3-6,9-14,16H2,1-2H3,(H,25,28)
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n/an/a 9.5n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248128
PNG
(2,4-dichloro-N-((1-(2-fluoropropylsulfonyl)-4-(pyr...)
Show SMILES CC(F)CS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ccccn1
Show InChI InChI=1S/C21H24Cl2FN3O3S/c1-15(24)13-31(29,30)27-10-7-21(8-11-27,19-4-2-3-9-25-19)14-26-20(28)17-6-5-16(22)12-18(17)23/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3,(H,26,28)
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n/an/a 9.70n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt1


Bioorg Med Chem Lett 19: 1492-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.015
BindingDB Entry DOI: 10.7270/Q2B27V5N
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50195170
PNG
(2-chloro-N-((4-(morpholine-4-carbonyl)-1-(propylsu...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H30ClN3O5S/c1-2-15-31(28,29)25-9-7-21(8-10-25,20(27)24-11-13-30-14-12-24)16-23-19(26)17-5-3-4-6-18(17)22/h3-6H,2,7-16H2,1H3,(H,23,26)
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n/an/a 9.70n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Glycine-1-transporter


(Homo sapiens (Human))
BDBM50195173
PNG
(2-chloro-4-fluoro-N-((4-(morpholine-4-carbonyl)-1-...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(F)cc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H29ClFN3O5S/c1-2-13-32(29,30)26-7-5-21(6-8-26,20(28)25-9-11-31-12-10-25)15-24-19(27)17-4-3-16(23)14-18(17)22/h3-4,14H,2,5-13,15H2,1H3,(H,24,27)
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n/an/a 10n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of rat GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248681
PNG
(2-chloro-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)pi...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)(CC1)c1ccccn1
Show InChI InChI=1S/C21H26ClN3O3S/c1-2-15-29(27,28)25-13-10-21(11-14-25,19-9-5-6-12-23-19)16-24-20(26)17-7-3-4-8-18(17)22/h3-9,12H,2,10-11,13-16H2,1H3,(H,24,26)
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n/an/a 12n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Carboxypeptidase M


(Homo sapiens (Human))
BDBM50135939
PNG
(3-(4,4-Diamino-but-3-enylsulfanyl)-2-mercaptomethy...)
Show SMILES NC(=N)CCCSCC(CS)C(O)=O
Show InChI InChI=1S/C8H16N2O2S2/c9-7(10)2-1-3-14-5-6(4-13)8(11)12/h6,13H,1-5H2,(H3,9,10)(H,11,12)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50195173
PNG
(2-chloro-4-fluoro-N-((4-(morpholine-4-carbonyl)-1-...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(F)cc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H29ClFN3O5S/c1-2-13-32(29,30)26-7-5-21(6-8-26,20(28)25-9-11-31-12-10-25)15-24-19(27)17-4-3-16(23)14-18(17)22/h3-4,14H,2,5-13,15H2,1H3,(H,24,27)
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n/an/a 13n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50195178
PNG
(2-chloro-6-fluoro-N-((4-(morpholine-4-carbonyl)-1-...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(F)cccc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H29ClFN3O5S/c1-2-14-32(29,30)26-8-6-21(7-9-26,20(28)25-10-12-31-13-11-25)15-24-19(27)18-16(22)4-3-5-17(18)23/h3-5H,2,6-15H2,1H3,(H,24,27)
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n/an/a 13n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of human GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248013
PNG
((S)-N-(1-(1-(propylsulfonyl)-4-(pyridin-2-yl)piper...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1ccccc1OC(F)(F)F)c1ccccn1 |r|
Show InChI InChI=1S/C23H28F3N3O4S/c1-3-16-34(31,32)29-14-11-22(12-15-29,20-10-6-7-13-27-20)17(2)28-21(30)18-8-4-5-9-19(18)33-23(24,25)26/h4-10,13,17H,3,11-12,14-16H2,1-2H3,(H,28,30)/t17-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248097
PNG
(2-(4-((2,4-dichlorobenzamido)methyl)-1-(propylsulf...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)C1CCCCC1OC(C)=O
Show InChI InChI=1S/C24H34Cl2N2O5S/c1-3-14-34(31,32)28-12-10-24(11-13-28,20-6-4-5-7-22(20)33-17(2)29)16-27-23(30)19-9-8-18(25)15-21(19)26/h8-9,15,20,22H,3-7,10-14,16H2,1-2H3,(H,27,30)
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n/an/a 18n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt1


Bioorg Med Chem Lett 19: 1492-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.015
BindingDB Entry DOI: 10.7270/Q2B27V5N
More data for this
Ligand-Target Pair
Glycine-1-transporter


(Homo sapiens (Human))
BDBM50195170
PNG
(2-chloro-N-((4-(morpholine-4-carbonyl)-1-(propylsu...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H30ClN3O5S/c1-2-15-31(28,29)25-9-7-21(8-10-25,20(27)24-11-13-30-14-12-24)16-23-19(26)17-5-3-4-6-18(17)22/h3-6H,2,7-16H2,1H3,(H,23,26)
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n/an/a 18n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of rat GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248665
PNG
(CHEMBL517034 | N-((1-(propylsulfonyl)-4-(pyridin-2...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2OC(F)(F)F)(CC1)c1ccccn1
Show InChI InChI=1S/C22H26F3N3O4S/c1-2-15-33(30,31)28-13-10-21(11-14-28,19-9-5-6-12-26-19)16-27-20(29)17-7-3-4-8-18(17)32-22(23,24)25/h3-9,12H,2,10-11,13-16H2,1H3,(H,27,29)
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n/an/a 19n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Mus musculus)
BDBM50195181
PNG
(2,4-dichloro-5-fluoro-N-((4-(morpholine-4-carbonyl...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2cc(F)c(Cl)cc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H28Cl2FN3O5S/c1-2-11-33(30,31)27-5-3-21(4-6-27,20(29)26-7-9-32-10-8-26)14-25-19(28)15-12-18(24)17(23)13-16(15)22/h12-13H,2-11,14H2,1H3,(H,25,28)
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Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Glycine-1-transporter


(Homo sapiens (Human))
BDBM50195166
PNG
(3-chloro-2,6-difluoro-N-((4-(morpholine-4-carbonyl...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(F)ccc(Cl)c2F)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H28ClF2N3O5S/c1-2-13-33(30,31)27-7-5-21(6-8-27,20(29)26-9-11-32-12-10-26)14-25-19(28)17-16(23)4-3-15(22)18(17)24/h3-4H,2,5-14H2,1H3,(H,25,28)
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n/an/a 20n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of rat GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248644
PNG
(2-methyl-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)pi...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2C)(CC1)c1ccccn1
Show InChI InChI=1S/C22H29N3O3S/c1-3-16-29(27,28)25-14-11-22(12-15-25,20-10-6-7-13-23-20)17-24-21(26)19-9-5-4-8-18(19)2/h4-10,13H,3,11-12,14-17H2,1-2H3,(H,24,26)
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Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248094
PNG
(CHEMBL460922 | N-((1-methyl-1'-(propylsulfonyl)-2,...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2OC(F)(F)F)(CC1)C1CCCCN1C
Show InChI InChI=1S/C23H34F3N3O4S/c1-3-16-34(31,32)29-14-11-22(12-15-29,20-10-6-7-13-28(20)2)17-27-21(30)18-8-4-5-9-19(18)33-23(24,25)26/h4-5,8-9,20H,3,6-7,10-17H2,1-2H3,(H,27,30)
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n/an/a 21n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135935
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-benzyl-1H-imidazol-4...)
Show SMILES Nc1ccc(CC(C(O)=O)c2cn(Cc3ccccc3)cn2)cn1
Show InChI InChI=1S/C18H18N4O2/c19-17-7-6-14(9-20-17)8-15(18(23)24)16-11-22(12-21-16)10-13-4-2-1-3-5-13/h1-7,9,11-12,15H,8,10H2,(H2,19,20)(H,23,24)
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Glycine-1-transporter


(Homo sapiens (Human))
BDBM50195178
PNG
(2-chloro-6-fluoro-N-((4-(morpholine-4-carbonyl)-1-...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(F)cccc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H29ClFN3O5S/c1-2-14-32(29,30)26-8-6-21(7-9-26,20(28)25-10-12-31-13-11-25)15-24-19(27)18-16(22)4-3-5-17(18)23/h3-5H,2,6-15H2,1H3,(H,24,27)
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n/an/a 22n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of rat GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248063
PNG
(2,4-dichloro-N-((4-(2-methoxyethyl)-1-(propylsulfo...)
Show SMILES CCCS(=O)(=O)N1CCC(CCOC)(CNC(=O)c2ccc(Cl)cc2Cl)CC1
Show InChI InChI=1S/C19H28Cl2N2O4S/c1-3-12-28(25,26)23-9-6-19(7-10-23,8-11-27-2)14-22-18(24)16-5-4-15(20)13-17(16)21/h4-5,13H,3,6-12,14H2,1-2H3,(H,22,24)
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n/an/a 27n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt1


Bioorg Med Chem Lett 19: 1492-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.015
BindingDB Entry DOI: 10.7270/Q2B27V5N
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Mus musculus)
BDBM50195173
PNG
(2-chloro-4-fluoro-N-((4-(morpholine-4-carbonyl)-1-...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(F)cc2Cl)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H29ClFN3O5S/c1-2-13-32(29,30)26-7-5-21(6-8-26,20(28)25-9-11-31-12-10-25)15-24-19(27)17-4-3-16(23)14-18(17)22/h3-4,14H,2,5-13,15H2,1H3,(H,24,27)
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n/an/a 29n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248099
PNG
(2,4-dichloro-N-((4-(cyclopropylmethyl)-1-(propylsu...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1
Show InChI InChI=1S/C20H28Cl2N2O3S/c1-2-11-28(26,27)24-9-7-20(8-10-24,13-15-3-4-15)14-23-19(25)17-6-5-16(21)12-18(17)22/h5-6,12,15H,2-4,7-11,13-14H2,1H3,(H,23,25)
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n/an/a 30n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt1


Bioorg Med Chem Lett 19: 1492-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.015
BindingDB Entry DOI: 10.7270/Q2B27V5N
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248664
PNG
(CHEMBL465426 | N-((1-(propylsulfonyl)-4-(pyridin-2...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2C(F)(F)F)(CC1)c1ccccn1
Show InChI InChI=1S/C22H26F3N3O3S/c1-2-15-32(30,31)28-13-10-21(11-14-28,19-9-5-6-12-26-19)16-27-20(29)17-7-3-4-8-18(17)22(23,24)25/h3-9,12H,2,10-11,13-16H2,1H3,(H,27,29)
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n/an/a 31n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135940
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1-ethyl-1H-imidazol-4-...)
Show SMILES CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O
Show InChI InChI=1S/C13H16N4O2/c1-2-17-7-11(16-8-17)10(13(18)19)5-9-3-4-12(14)15-6-9/h3-4,6-8,10H,2,5H2,1H3,(H2,14,15)(H,18,19)
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma


J Med Chem 46: 5294-7 (2003)


Article DOI: 10.1021/jm034141y
BindingDB Entry DOI: 10.7270/Q27H1J0Z
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248666
PNG
(2-chloro-N-((4-(4-methylpyridin-2-yl)-1-(propylsul...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2Cl)(CC1)c1cc(C)ccn1
Show InChI InChI=1S/C22H28ClN3O3S/c1-3-14-30(28,29)26-12-9-22(10-13-26,20-15-17(2)8-11-24-20)16-25-21(27)18-6-4-5-7-19(18)23/h4-8,11,15H,3,9-10,12-14,16H2,1-2H3,(H,25,27)
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n/an/a 38n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 19: 1488-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.115
BindingDB Entry DOI: 10.7270/Q2V124P3
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50248098
PNG
(CHEMBL462148 | N-((4-(azetidin-1-yl)-1-(propylsulf...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)N1CCC1
Show InChI InChI=1S/C19H27Cl2N3O3S/c1-2-12-28(26,27)24-10-6-19(7-11-24,23-8-3-9-23)14-22-18(25)16-5-4-15(20)13-17(16)21/h4-5,13H,2-3,6-12,14H2,1H3,(H,22,25)
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n/an/a 38n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Glyt1


Bioorg Med Chem Lett 19: 1492-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.015
BindingDB Entry DOI: 10.7270/Q2B27V5N
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Mus musculus)
BDBM50195166
PNG
(3-chloro-2,6-difluoro-N-((4-(morpholine-4-carbonyl...)
Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2c(F)ccc(Cl)c2F)(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H28ClF2N3O5S/c1-2-13-33(30,31)27-7-5-21(6-8-27,20(29)26-9-11-32-12-10-26)14-25-19(28)17-16(23)4-3-15(22)18(17)24/h3-4H,2,5-14H2,1H3,(H,25,28)
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n/an/a 43n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse GlyT1


Bioorg Med Chem Lett 16: 5968-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.131
BindingDB Entry DOI: 10.7270/Q2C82B31
More data for this
Ligand-Target Pair
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