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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent glycine transporter 1' AND taxid = 10090   
Target
(Institution)
LigandTarget
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


(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


Citation and Details
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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n/an/a 19n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse GlyT1


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Mus musculus)
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 57n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse GlyT1


Citation and Details
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Mus musculus)
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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PubMed
n/an/a 95n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of mouse GlyT1


Citation and Details
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Mus musculus)
BDBM50011135
PNG
(CHEMBL3259928)
Show SMILES COc1cc(cc(SC)c1C(=O)N[C@]1(CCCN(C)C1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N2O2S/c1-27-11-7-10-21(14-27,15-8-5-4-6-9-15)26-20(28)19-17(29-2)12-16(22(23,24)25)13-18(19)30-3/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,26,28)/t21-/m0/s1
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n/an/an/an/a 5n/an/an/an/a


TBA

Assay Description
Inhibition of mouse GlyT1


Citation and Details
More data for this
Ligand-Target Pair