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7 similar compounds to monomer 50277866

Compile data set for download or QSAR
Wt: 472.3
BDBM50277944
Wt: 500.4
BDBM50277945
Wt: 458.3
BDBM50277901
Wt: 458.3
BDBM50277902
Wt: 444.3
BDBM50277903
Wt: 486.4
BDBM50277904
Wt: 444.3
BDBM50448013

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50277944,50277945,50277901,50277902,50277903,50277904,50448013   
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))
BDBM50277901
PNG
(2,4-dichloro-N-((3-(cyclopropylmethyl)-1-(2-methyl...)
Show SMILES Cn1ncc(n1)S(=O)(=O)N1CC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)C1
Show InChI InChI=1S/C18H21Cl2N5O3S/c1-24-22-8-16(23-24)29(27,28)25-10-18(11-25,7-12-2-3-12)9-21-17(26)14-5-4-13(19)6-15(14)20/h4-6,8,12H,2-3,7,9-11H2,1H3,(H,21,26)
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n/an/a 132n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in human JAR cells after 3 hrs by scintillation counting


Bioorg Med Chem Lett 19: 2235-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.102
BindingDB Entry DOI: 10.7270/Q23R0SSZ
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50277944
PNG
(2,4-dichloro-N-((3-(cyclopropylmethyl)-1-(1-ethyl-...)
Show SMILES CCn1cc(nn1)S(=O)(=O)N1CC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)C1
Show InChI InChI=1S/C19H23Cl2N5O3S/c1-2-25-9-17(23-24-25)30(28,29)26-11-19(12-26,8-13-3-4-13)10-22-18(27)15-6-5-14(20)7-16(15)21/h5-7,9,13H,2-4,8,10-12H2,1H3,(H,22,27)
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n/an/a 2.60n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in human JAR cells after 3 hrs by scintillation counting


Bioorg Med Chem Lett 19: 2235-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.102
BindingDB Entry DOI: 10.7270/Q23R0SSZ
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50277903
PNG
(CHEMBL519701 | N-((1-(1H-1,2,3-triazol-4-ylsulfony...)
Show SMILES Clc1ccc(C(=O)NCC2(CC3CC3)CN(C2)S(=O)(=O)c2cnn[nH]2)c(Cl)c1
Show InChI InChI=1S/C17H19Cl2N5O3S/c18-12-3-4-13(14(19)5-12)16(25)20-8-17(6-11-1-2-11)9-24(10-17)28(26,27)15-7-21-23-22-15/h3-5,7,11H,1-2,6,8-10H2,(H,20,25)(H,21,22,23)
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n/an/a 871n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in human JAR cells after 3 hrs by scintillation counting


Bioorg Med Chem Lett 19: 2235-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.102
BindingDB Entry DOI: 10.7270/Q23R0SSZ
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50277902
PNG
(2,4-dichloro-N-((3-(cyclopropylmethyl)-1-(1-methyl...)
Show SMILES Cn1nncc1S(=O)(=O)N1CC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)C1
Show InChI InChI=1S/C18H21Cl2N5O3S/c1-24-16(8-22-23-24)29(27,28)25-10-18(11-25,7-12-2-3-12)9-21-17(26)14-5-4-13(19)6-15(14)20/h4-6,8,12H,2-3,7,9-11H2,1H3,(H,21,26)
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n/an/a 185n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in human JAR cells after 3 hrs by scintillation counting


Bioorg Med Chem Lett 19: 2235-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.102
BindingDB Entry DOI: 10.7270/Q23R0SSZ
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50448013
PNG
(CHEMBL3115220)
Show SMILES Cn1cc(nn1)S(=O)(=O)N1CC2CCC(NC(=O)c3ccc(Cl)cc3Cl)C2C1
Show InChI InChI=1S/C17H19Cl2N5O3S/c1-23-9-16(21-22-23)28(26,27)24-7-10-2-5-15(13(10)8-24)20-17(25)12-4-3-11(18)6-14(12)19/h3-4,6,9-10,13,15H,2,5,7-8H2,1H3,(H,20,25)
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n/an/a 15n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 (unknown origin) assessed as [14C]-glycine transport


Bioorg Med Chem Lett 24: 1062-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.011
BindingDB Entry DOI: 10.7270/Q2XD1350
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50277904
PNG
(2,4-dichloro-N-((4-(cyclopropylmethyl)-1-(1-methyl...)
Show SMILES Cn1cc(nn1)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1
Show InChI InChI=1S/C20H25Cl2N5O3S/c1-26-12-18(24-25-26)31(29,30)27-8-6-20(7-9-27,11-14-2-3-14)13-23-19(28)16-5-4-15(21)10-17(16)22/h4-5,10,12,14H,2-3,6-9,11,13H2,1H3,(H,23,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 2


Bioorg Med Chem Lett 19: 2235-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.102
BindingDB Entry DOI: 10.7270/Q23R0SSZ
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50277904
PNG
(2,4-dichloro-N-((4-(cyclopropylmethyl)-1-(1-methyl...)
Show SMILES Cn1cc(nn1)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1
Show InChI InChI=1S/C20H25Cl2N5O3S/c1-26-12-18(24-25-26)31(29,30)27-8-6-20(7-9-27,11-14-2-3-14)13-23-19(28)16-5-4-15(21)10-17(16)22/h4-5,10,12,14H,2-3,6-9,11,13H2,1H3,(H,23,28)
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n/an/a 32n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in human JAR cells after 3 hrs by scintillation counting


Bioorg Med Chem Lett 19: 2235-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.102
BindingDB Entry DOI: 10.7270/Q23R0SSZ
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50448013
PNG
(CHEMBL3115220)
Show SMILES Cn1cc(nn1)S(=O)(=O)N1CC2CCC(NC(=O)c3ccc(Cl)cc3Cl)C2C1
Show InChI InChI=1S/C17H19Cl2N5O3S/c1-23-9-16(21-22-23)28(26,27)24-7-10-2-5-15(13(10)8-24)20-17(25)12-4-3-11(18)6-14(12)19/h3-4,6,9-10,13,15H,2,5,7-8H2,1H3,(H,20,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GlyT2 (unknown origin) assessed as [14C]-glycine transport


Bioorg Med Chem Lett 24: 1062-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.011
BindingDB Entry DOI: 10.7270/Q2XD1350
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50277945
PNG
(2,4-dichloro-N-((4-(cyclopropylmethyl)-1-(1-ethyl-...)
Show SMILES CCn1cc(nn1)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1
Show InChI InChI=1S/C21H27Cl2N5O3S/c1-2-27-13-19(25-26-27)32(30,31)28-9-7-21(8-10-28,12-15-3-4-15)14-24-20(29)17-6-5-16(22)11-18(17)23/h5-6,11,13,15H,2-4,7-10,12,14H2,1H3,(H,24,29)
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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 [3H]glycine uptake at human glycine transporter 1 expressed in human JAR cells after 3 hrs by scintillation counting


Bioorg Med Chem Lett 19: 2235-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.102
BindingDB Entry DOI: 10.7270/Q23R0SSZ
More data for this
Ligand-Target Pair