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PubMed code 26575458

Compile data set for download or QSAR
Found 19 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))		BDBM50500383
PNG
(CHEMBL3746420)
Show SMILES COC(C)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2-c2ccc(F)cc2)S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C27H28F2N2O4S/c1-18(35-2)20-6-11-26(25(29)16-20)30-12-14-31(15-13-30)27(32)24-17-22(36(3,33)34)9-10-23(24)19-4-7-21(28)8-5-19/h4-11,16-18H,12-15H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 (unknown origin) expressed in HEK293 cells by scintillation proximity assay

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))		BDBM50500385
PNG
(CHEMBL3747673)
Show SMILES CS(=O)(=O)c1ccc(-c2ccc(F)cc2)c(c1)C(=O)N1CCN(CC1)c1ccc(N)cc1F
Show InChI InChI=1S/C24H23F2N3O3S/c1-33(31,32)19-7-8-20(16-2-4-17(25)5-3-16)21(15-19)24(30)29-12-10-28(11-13-29)23-9-6-18(27)14-22(23)26/h2-9,14-15H,10-13,27H2,1H3
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University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 (unknown origin) expressed in HEK293 cells by scintillation proximity assay

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50500394
PNG
(CHEMBL3747421)
Show SMILES CCCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H23N3O3S2/c1-2-16-24-31(28,29)21-14-12-20(13-15-21)25-23(30)26-22(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15,24H,2,16H2,1H3,(H2,25,26,27,30)
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n/an/an/an/a 176n/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50500384
PNG
(CHEMBL3746228)
Show SMILES O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)NCc1ccco1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H21N3O4S2/c29-24(20-10-8-19(9-11-20)18-5-2-1-3-6-18)28-25(33)27-21-12-14-23(15-13-21)34(30,31)26-17-22-7-4-16-32-22/h1-16,26H,17H2,(H2,27,28,29,33)
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University of Eastern Finland

Curated by ChEMBL


Assay Description
Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50500387
PNG
(CHEMBL3747718)
Show SMILES CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H21N3O3S2/c1-25(2)30(27,28)20-14-12-19(13-15-20)23-22(29)24-21(26)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,1-2H3,(H2,23,24,26,29)
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n/an/an/an/a 56n/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50500388
PNG
(CHEMBL4299513)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C29H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)39-20-22(30)21-40-42(37,38)41-29-27(35)25(33)24(32)26(34)28(29)36/h6-7,9-10,12-13,15-16,22,24-30,32-36H,2-5,8,11,14,17-21H2,1H3,(H,37,38)/b7-6-,10-9-,13-12-,16-15-/t22-,24-,25-,26+,27+,28+,29-/m1/s1
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University of Eastern Finland

Curated by ChEMBL


Assay Description
Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50500385
PNG
(CHEMBL3747673)
Show SMILES CS(=O)(=O)c1ccc(-c2ccc(F)cc2)c(c1)C(=O)N1CCN(CC1)c1ccc(N)cc1F
Show InChI InChI=1S/C24H23F2N3O3S/c1-33(31,32)19-7-8-20(16-2-4-17(25)5-3-16)21(15-19)24(30)29-12-10-28(11-13-29)23-9-6-18(27)14-22(23)26/h2-9,14-15H,10-13,27H2,1H3
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n/an/an/an/a 158n/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Agonist activity at human GPR55 expressed in Saccharomyces cerevisiae by beta-galactosidase reporter assay

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50500393
PNG
(CHEMBL3746607)
Show SMILES Fc1ccc(CNS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(cc3)-c3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H22FN3O3S2/c28-23-12-6-19(7-13-23)18-29-36(33,34)25-16-14-24(15-17-25)30-27(35)31-26(32)22-10-8-21(9-11-22)20-4-2-1-3-5-20/h1-17,29H,18H2,(H2,30,31,32,35)
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University of Eastern Finland

Curated by ChEMBL


Assay Description
Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50500382
PNG
(CHEMBL3747608)
Show SMILES COc1ccc(CNS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(cc3)-c3ccccc3)cc2)cc1
Show InChI InChI=1S/C28H25N3O4S2/c1-35-25-15-7-20(8-16-25)19-29-37(33,34)26-17-13-24(14-18-26)30-28(36)31-27(32)23-11-9-22(10-12-23)21-5-3-2-4-6-21/h2-18,29H,19H2,1H3,(H2,30,31,32,36)
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n/an/an/an/a 7.70n/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50500386
PNG
(CHEMBL3746764)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H26N4O3S2/c1-28-15-17-29(18-16-28)34(31,32)23-13-11-22(12-14-23)26-25(33)27-24(30)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-14H,15-18H2,1H3,(H2,26,27,30,33)
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n/an/an/an/a 218n/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50500391
PNG
(CHEMBL3747626)
Show SMILES Cc1ccc(CNS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(cc3)-c3ccccc3)cc2)cc1
Show InChI InChI=1S/C28H25N3O3S2/c1-20-7-9-21(10-8-20)19-29-36(33,34)26-17-15-25(16-18-26)30-28(35)31-27(32)24-13-11-23(12-14-24)22-5-3-2-4-6-22/h2-18,29H,19H2,1H3,(H2,30,31,32,35)
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n/an/an/an/a 12n/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50500392
PNG
(CHEMBL3745774)
Show SMILES O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H21N3O3S2/c30-25(21-13-11-20(12-14-21)19-7-3-1-4-8-19)28-26(33)27-22-15-17-24(18-16-22)34(31,32)29-23-9-5-2-6-10-23/h1-18,29H,(H2,27,28,30,33)
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n/an/an/an/a 6.20n/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50500395
PNG
(CHEMBL3745918)
Show SMILES O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)NCCc1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H25N3O3S2/c32-27(24-13-11-23(12-14-24)22-9-5-2-6-10-22)31-28(35)30-25-15-17-26(18-16-25)36(33,34)29-20-19-21-7-3-1-4-8-21/h1-18,29H,19-20H2,(H2,30,31,32,35)
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n/an/an/an/a 39n/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50500397
PNG
(CHEMBL3746316)
Show SMILES O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H23N3O3S2/c31-26(23-13-11-22(12-14-23)21-9-5-2-6-10-21)30-27(34)29-24-15-17-25(18-16-24)35(32,33)28-19-20-7-3-1-4-8-20/h1-18,28H,19H2,(H2,29,30,31,34)
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n/an/an/an/a 5.60n/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50500390
PNG
(CHEMBL3746958)
Show SMILES O=C(NCc1ccccc1)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C28H23N3O2S/c32-26(29-19-20-7-3-1-4-8-20)23-15-17-25(18-16-23)30-28(34)31-27(33)24-13-11-22(12-14-24)21-9-5-2-6-10-21/h1-18H,19H2,(H,29,32)(H2,30,31,33,34)
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University of Eastern Finland

Curated by ChEMBL


Assay Description
Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50500396
PNG
(CHEMBL3746874)
Show SMILES C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H21N3O3S2/c1-2-16-24-31(28,29)21-14-12-20(13-15-21)25-23(30)26-22(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h2-15,24H,1,16H2,(H2,25,26,27,30)
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n/an/an/an/a 19n/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50500398
PNG
(CHEMBL3747083)
Show SMILES CC(C)CNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H25N3O3S2/c1-17(2)16-25-32(29,30)22-14-12-21(13-15-22)26-24(31)27-23(28)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-15,17,25H,16H2,1-2H3,(H2,26,27,28,31)
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n/an/an/an/a 31n/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50500383
PNG
(CHEMBL3746420)
Show SMILES COC(C)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2-c2ccc(F)cc2)S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C27H28F2N2O4S/c1-18(35-2)20-6-11-26(25(29)16-20)30-12-14-31(15-13-30)27(32)24-17-22(36(3,33)34)9-10-23(24)19-4-7-21(28)8-5-19/h4-11,16-18H,12-15H2,1-3H3
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n/an/an/an/a 316n/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Agonist activity at human GPR55 expressed in Saccharomyces cerevisiae by beta-galactosidase reporter assay

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50500389
PNG
(CHEMBL3745896)
Show SMILES O=C(NCCc1ccccc1)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H25N3O2S/c33-27(30-20-19-21-7-3-1-4-8-21)24-15-17-26(18-16-24)31-29(35)32-28(34)25-13-11-23(12-14-25)22-9-5-2-6-10-22/h1-18H,19-20H2,(H,30,33)(H2,31,32,34,35)
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University of Eastern Finland

Curated by ChEMBL


Assay Description
Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy

Eur J Med Chem 107: 119-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.050
BindingDB Entry DOI: 10.7270/Q22V2K4F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%