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Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'isaksson da silva' and Initial = 'k'   
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
GPR103


(Homo sapiens (Human))
BDBM50020015
PNG
(CHEMBL3287814)
Show SMILES COc1ccc(NC(=N)c2ccc(Cl)cc2)cc1CSC1CCCC1
Show InChI InChI=1S/C20H23ClN2OS/c1-24-19-11-10-17(12-15(19)13-25-18-4-2-3-5-18)23-20(22)14-6-8-16(21)9-7-14/h6-12,18H,2-5,13H2,1H3,(H2,22,23)
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020011
PNG
(CHEMBL3287810)
Show SMILES COc1ccc(NC(=N)c2ccccc2)cc1CSC1CCCC1
Show InChI InChI=1S/C20H24N2OS/c1-23-19-12-11-17(22-20(21)15-7-3-2-4-8-15)13-16(19)14-24-18-9-5-6-10-18/h2-4,7-8,11-13,18H,5-6,9-10,14H2,1H3,(H2,21,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020014
PNG
(CHEMBL3287813)
Show SMILES COc1ccc(NC(=N)c2ccc(Br)s2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H21BrN2OS2/c1-22-15-7-6-13(21-18(20)16-8-9-17(19)24-16)10-12(15)11-23-14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3,(H2,20,21)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020011
PNG
(CHEMBL3287810)
Show SMILES COc1ccc(NC(=N)c2ccccc2)cc1CSC1CCCC1
Show InChI InChI=1S/C20H24N2OS/c1-23-19-12-11-17(22-20(21)15-7-3-2-4-8-15)13-16(19)14-24-18-9-5-6-10-18/h2-4,7-8,11-13,18H,5-6,9-10,14H2,1H3,(H2,21,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020015
PNG
(CHEMBL3287814)
Show SMILES COc1ccc(NC(=N)c2ccc(Cl)cc2)cc1CSC1CCCC1
Show InChI InChI=1S/C20H23ClN2OS/c1-24-19-11-10-17(12-15(19)13-25-18-4-2-3-5-18)23-20(22)14-6-8-16(21)9-7-14/h6-12,18H,2-5,13H2,1H3,(H2,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019982
PNG
(CHEMBL3287584)
Show SMILES COc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H22N2OS2/c1-21-16-9-8-14(20-18(19)17-7-4-10-22-17)11-13(16)12-23-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6,12H2,1H3,(H2,19,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020012
PNG
(CHEMBL3287811)
Show SMILES COc1ccc(NC(=N)c2cc(C)cs2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H24N2OS2/c1-13-9-18(24-11-13)19(20)21-15-7-8-17(22-2)14(10-15)12-23-16-5-3-4-6-16/h7-11,16H,3-6,12H2,1-2H3,(H2,20,21)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019983
PNG
(CHEMBL3287585)
Show SMILES COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c2C[C@@H](CCc12)N(C)C |r|
Show InChI InChI=1S/C20H25ClN2O4S/c1-23(2)14-6-7-15-16(12-14)18(26-3)9-10-20(15)28(24,25)22-17-11-13(21)5-8-19(17)27-4/h5,8-11,14,22H,6-7,12H2,1-4H3/t14-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019983
PNG
(CHEMBL3287585)
Show SMILES COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c2C[C@@H](CCc12)N(C)C |r|
Show InChI InChI=1S/C20H25ClN2O4S/c1-23(2)14-6-7-15-16(12-14)18(26-3)9-10-20(15)28(24,25)22-17-11-13(21)5-8-19(17)27-4/h5,8-11,14,22H,6-7,12H2,1-4H3/t14-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020010
PNG
(CHEMBL3287586)
Show SMILES COc1ccc(NC(=N)c2ccsc2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H22N2OS2/c1-21-17-7-6-15(20-18(19)13-8-9-22-11-13)10-14(17)12-23-16-4-2-3-5-16/h6-11,16H,2-5,12H2,1H3,(H2,19,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020012
PNG
(CHEMBL3287811)
Show SMILES COc1ccc(NC(=N)c2cc(C)cs2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H24N2OS2/c1-13-9-18(24-11-13)19(20)21-15-7-8-17(22-2)14(10-15)12-23-16-5-3-4-6-16/h7-11,16H,3-6,12H2,1-2H3,(H2,20,21)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020014
PNG
(CHEMBL3287813)
Show SMILES COc1ccc(NC(=N)c2ccc(Br)s2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H21BrN2OS2/c1-22-15-7-6-13(21-18(20)16-8-9-17(19)24-16)10-12(15)11-23-14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3,(H2,20,21)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020010
PNG
(CHEMBL3287586)
Show SMILES COc1ccc(NC(=N)c2ccsc2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H22N2OS2/c1-21-17-7-6-15(20-18(19)13-8-9-22-11-13)10-14(17)12-23-16-4-2-3-5-16/h6-11,16H,2-5,12H2,1H3,(H2,19,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019982
PNG
(CHEMBL3287584)
Show SMILES COc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H22N2OS2/c1-21-16-9-8-14(20-18(19)17-7-4-10-22-17)11-13(16)12-23-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6,12H2,1H3,(H2,19,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020013
PNG
(CHEMBL3287812)
Show SMILES COc1ccc(NC(=N)c2cc(Br)cs2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H21BrN2OS2/c1-22-16-7-6-14(21-18(20)17-9-13(19)11-24-17)8-12(16)10-23-15-4-2-3-5-15/h6-9,11,15H,2-5,10H2,1H3,(H2,20,21)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019979
PNG
(CHEMBL3287833)
Show SMILES COc1ccc(NC(=N)c2ccccc2)cc1CCC1CCCC1
Show InChI InChI=1S/C21H26N2O/c1-24-20-14-13-19(23-21(22)17-9-3-2-4-10-17)15-18(20)12-11-16-7-5-6-8-16/h2-4,9-10,13-16H,5-8,11-12H2,1H3,(H2,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020022
PNG
(CHEMBL3287821)
Show SMILES COc1ccc(N\C(=N\C)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H24N2OS2/c1-20-19(18-8-5-11-23-18)21-15-9-10-17(22-2)14(12-15)13-24-16-6-3-4-7-16/h5,8-12,16H,3-4,6-7,13H2,1-2H3,(H,20,21)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020020
PNG
(CHEMBL3287819)
Show SMILES COc1ccc(NC(=N)c2cccnc2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H23N3OS/c1-23-18-9-8-16(22-19(20)14-5-4-10-21-12-14)11-15(18)13-24-17-6-2-3-7-17/h4-5,8-12,17H,2-3,6-7,13H2,1H3,(H2,20,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019979
PNG
(CHEMBL3287833)
Show SMILES COc1ccc(NC(=N)c2ccccc2)cc1CCC1CCCC1
Show InChI InChI=1S/C21H26N2O/c1-24-20-14-13-19(23-21(22)17-9-3-2-4-10-17)15-18(20)12-11-16-7-5-6-8-16/h2-4,9-10,13-16H,5-8,11-12H2,1H3,(H2,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020020
PNG
(CHEMBL3287819)
Show SMILES COc1ccc(NC(=N)c2cccnc2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H23N3OS/c1-23-18-9-8-16(22-19(20)14-5-4-10-21-12-14)11-15(18)13-24-17-6-2-3-7-17/h4-5,8-12,17H,2-3,6-7,13H2,1H3,(H2,20,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019976
PNG
(CHEMBL3287827)
Show SMILES Fc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C17H19FN2S2/c18-15-8-7-13(20-17(19)16-6-3-9-21-16)10-12(15)11-22-14-4-1-2-5-14/h3,6-10,14H,1-2,4-5,11H2,(H2,19,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020022
PNG
(CHEMBL3287821)
Show SMILES COc1ccc(N\C(=N\C)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H24N2OS2/c1-20-19(18-8-5-11-23-18)21-15-9-10-17(22-2)14(12-15)13-24-16-6-3-4-7-16/h5,8-12,16H,3-4,6-7,13H2,1-2H3,(H,20,21)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019974
PNG
(CHEMBL3287825)
Show SMILES N=C(Nc1cccc(CSC2CCCC2)c1)c1cccs1
Show InChI InChI=1S/C17H20N2S2/c18-17(16-9-4-10-20-16)19-14-6-3-5-13(11-14)12-21-15-7-1-2-8-15/h3-6,9-11,15H,1-2,7-8,12H2,(H2,18,19)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019973
PNG
(CHEMBL3287824)
Show SMILES COc1ccc(cc1CSC1CCCC1)C(=N)Nc1ccccc1
Show InChI InChI=1S/C20H24N2OS/c1-23-19-12-11-15(20(21)22-17-7-3-2-4-8-17)13-16(19)14-24-18-9-5-6-10-18/h2-4,7-8,11-13,18H,5-6,9-10,14H2,1H3,(H2,21,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019977
PNG
(CHEMBL3287828)
Show SMILES Clc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C17H19ClN2S2/c18-15-8-7-13(20-17(19)16-6-3-9-21-16)10-12(15)11-22-14-4-1-2-5-14/h3,6-10,14H,1-2,4-5,11H2,(H2,19,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019976
PNG
(CHEMBL3287827)
Show SMILES Fc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C17H19FN2S2/c18-15-8-7-13(20-17(19)16-6-3-9-21-16)10-12(15)11-22-14-4-1-2-5-14/h3,6-10,14H,1-2,4-5,11H2,(H2,19,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020019
PNG
(CHEMBL3287818)
Show SMILES COc1ccc(NC(=N)c2ccncc2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H23N3OS/c1-23-18-7-6-16(22-19(20)14-8-10-21-11-9-14)12-15(18)13-24-17-4-2-3-5-17/h6-12,17H,2-5,13H2,1H3,(H2,20,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019975
PNG
(CHEMBL3287826)
Show SMILES Cc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H22N2S2/c1-13-8-9-15(20-18(19)17-7-4-10-21-17)11-14(13)12-22-16-5-2-3-6-16/h4,7-11,16H,2-3,5-6,12H2,1H3,(H2,19,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019980
PNG
(CHEMBL3287834)
Show SMILES COc1ccc(NC(=N)c2ccccc2)cc1CSc1ccccc1
Show InChI InChI=1S/C21H20N2OS/c1-24-20-13-12-18(23-21(22)16-8-4-2-5-9-16)14-17(20)15-25-19-10-6-3-7-11-19/h2-14H,15H2,1H3,(H2,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020024
PNG
(CHEMBL3287829)
Show SMILES FC(F)(F)Oc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H19F3N2OS2/c19-18(20,21)24-15-8-7-13(23-17(22)16-6-3-9-25-16)10-12(15)11-26-14-4-1-2-5-14/h3,6-10,14H,1-2,4-5,11H2,(H2,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019984
PNG
(CHEMBL528724 | GNF-Pf-1241)
Show SMILES Cc1cc2nc(NC(N)=N)nc(C)c2cc1C
Show InChI InChI=1S/C12H15N5/c1-6-4-9-8(3)15-12(17-11(13)14)16-10(9)5-7(6)2/h4-5H,1-3H3,(H4,13,14,15,16,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019974
PNG
(CHEMBL3287825)
Show SMILES N=C(Nc1cccc(CSC2CCCC2)c1)c1cccs1
Show InChI InChI=1S/C17H20N2S2/c18-17(16-9-4-10-20-16)19-14-6-3-5-13(11-14)12-21-15-7-1-2-8-15/h3-6,9-11,15H,1-2,7-8,12H2,(H2,18,19)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019978
PNG
(CHEMBL3287832)
Show SMILES COc1ccc(NC(=N)c2cccs2)cc1COC1CCCC1
Show InChI InChI=1S/C18H22N2O2S/c1-21-16-9-8-14(20-18(19)17-7-4-10-23-17)11-13(16)12-22-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6,12H2,1H3,(H2,19,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020018
PNG
(CHEMBL3287817)
Show SMILES COc1ccc(NC(=N)c2nccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C17H21N3OS2/c1-21-15-7-6-13(20-16(18)17-19-8-9-22-17)10-12(15)11-23-14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3,(H2,18,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019981
PNG
(CHEMBL3287835)
Show SMILES COc1ccc(NC(=N)c2ccccc2)cc1CNC(=O)C1CCCC1
Show InChI InChI=1S/C21H25N3O2/c1-26-19-12-11-18(24-20(22)15-7-3-2-4-8-15)13-17(19)14-23-21(25)16-9-5-6-10-16/h2-4,7-8,11-13,16H,5-6,9-10,14H2,1H3,(H2,22,24)(H,23,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019977
PNG
(CHEMBL3287828)
Show SMILES Clc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C17H19ClN2S2/c18-15-8-7-13(20-17(19)16-6-3-9-21-16)10-12(15)11-22-14-4-1-2-5-14/h3,6-10,14H,1-2,4-5,11H2,(H2,19,20)
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n/an/a 3.98E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019973
PNG
(CHEMBL3287824)
Show SMILES COc1ccc(cc1CSC1CCCC1)C(=N)Nc1ccccc1
Show InChI InChI=1S/C20H24N2OS/c1-23-19-12-11-15(20(21)22-17-7-3-2-4-8-17)13-16(19)14-24-18-9-5-6-10-18/h2-4,7-8,11-13,18H,5-6,9-10,14H2,1H3,(H2,21,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019984
PNG
(CHEMBL528724 | GNF-Pf-1241)
Show SMILES Cc1cc2nc(NC(N)=N)nc(C)c2cc1C
Show InChI InChI=1S/C12H15N5/c1-6-4-9-8(3)15-12(17-11(13)14)16-10(9)5-7(6)2/h4-5H,1-3H3,(H4,13,14,15,16,17)
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n/an/a 5.01E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020016
PNG
(CHEMBL3287815)
Show SMILES COc1ccc(NC(=N)Cc2ccccc2)cc1CSC1CCCC1
Show InChI InChI=1S/C21H26N2OS/c1-24-20-12-11-18(14-17(20)15-25-19-9-5-6-10-19)23-21(22)13-16-7-3-2-4-8-16/h2-4,7-8,11-12,14,19H,5-6,9-10,13,15H2,1H3,(H2,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019980
PNG
(CHEMBL3287834)
Show SMILES COc1ccc(NC(=N)c2ccccc2)cc1CSc1ccccc1
Show InChI InChI=1S/C21H20N2OS/c1-24-20-13-12-18(23-21(22)16-8-4-2-5-9-16)14-17(20)15-25-19-10-6-3-7-11-19/h2-14H,15H2,1H3,(H2,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020021
PNG
(CHEMBL3287820)
Show SMILES COc1ccc(NC(=O)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H21NO2S2/c1-21-16-9-8-14(19-18(20)17-7-4-10-22-17)11-13(16)12-23-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6,12H2,1H3,(H,19,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019981
PNG
(CHEMBL3287835)
Show SMILES COc1ccc(NC(=N)c2ccccc2)cc1CNC(=O)C1CCCC1
Show InChI InChI=1S/C21H25N3O2/c1-26-19-12-11-18(24-20(22)15-7-3-2-4-8-15)13-17(19)14-23-21(25)16-9-5-6-10-16/h2-4,7-8,11-13,16H,5-6,9-10,14H2,1H3,(H2,22,24)(H,23,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019975
PNG
(CHEMBL3287826)
Show SMILES Cc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H22N2S2/c1-13-8-9-15(20-18(19)17-7-4-10-21-17)11-14(13)12-22-16-5-2-3-6-16/h4,7-11,16H,2-3,5-6,12H2,1H3,(H2,19,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019978
PNG
(CHEMBL3287832)
Show SMILES COc1ccc(NC(=N)c2cccs2)cc1COC1CCCC1
Show InChI InChI=1S/C18H22N2O2S/c1-21-16-9-8-14(20-18(19)17-7-4-10-23-17)11-13(16)12-22-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6,12H2,1H3,(H2,19,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019972
PNG
(CHEMBL3287823)
Show SMILES COc1ccc(Nc2ccccn2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H22N2OS/c1-21-17-10-9-15(20-18-8-4-5-11-19-18)12-14(17)13-22-16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7,13H2,1H3,(H,19,20)
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n/an/a 1.26E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020018
PNG
(CHEMBL3287817)
Show SMILES COc1ccc(NC(=N)c2nccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C17H21N3OS2/c1-21-15-7-6-13(20-16(18)17-19-8-9-22-17)10-12(15)11-23-14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3,(H2,18,20)
UniProtKB/SwissProt

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n/an/a 2.51E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020026
PNG
(CHEMBL3287831)
Show SMILES COc1ccc(NC(=N)c2ccccc2)cc1CS(=O)(=O)C1CCCC1
Show InChI InChI=1S/C20H24N2O3S/c1-25-19-12-11-17(22-20(21)15-7-3-2-4-8-15)13-16(19)14-26(23,24)18-9-5-6-10-18/h2-4,7-8,11-13,18H,5-6,9-10,14H2,1H3,(H2,21,22)
UniProtKB/SwissProt

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n/an/a 3.16E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019972
PNG
(CHEMBL3287823)
Show SMILES COc1ccc(Nc2ccccn2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H22N2OS/c1-21-17-10-9-15(20-18-8-4-5-11-19-18)12-14(17)13-22-16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7,13H2,1H3,(H,19,20)
UniProtKB/SwissProt

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n/an/a<3.16E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020021
PNG
(CHEMBL3287820)
Show SMILES COc1ccc(NC(=O)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H21NO2S2/c1-21-16-9-8-14(19-18(20)17-7-4-10-22-17)11-13(16)12-23-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6,12H2,1H3,(H,19,20)
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n/an/a<3.16E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020023
PNG
(CHEMBL3287822)
Show SMILES COc1ccc(cc1CSC1CCCC1)N(C)C(=N\C)\c1cccs1
Show InChI InChI=1S/C20H26N2OS2/c1-21-20(19-9-6-12-24-19)22(2)16-10-11-18(23-3)15(13-16)14-25-17-7-4-5-8-17/h6,9-13,17H,4-5,7-8,14H2,1-3H3/b21-20+
UniProtKB/SwissProt

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CHEMBL
PC cid
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n/an/a<3.98E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
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