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Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'svensson henriksson' and Initial = 'a'   
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))
BDBM50045830
PNG
(CHEMBL3314362)
Show SMILES CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]QRFP43 from human GPR103 receptor expressed in HEK cells after 90 mins incubation by scintillation counting


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
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))
BDBM50045830
PNG
(CHEMBL3314362)
Show SMILES CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
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))
BDBM50045833
PNG
(CHEMBL3314349)
Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C22H24ClN3O/c1-24(2)13-15-4-5-17-14-26(9-8-16(17)10-15)22(27)21-12-18-11-19(23)6-7-20(18)25(21)3/h4-7,10-12H,8-9,13-14H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50045833
PNG
(CHEMBL3314349)
Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C22H24ClN3O/c1-24(2)13-15-4-5-17-14-26(9-8-16(17)10-15)22(27)21-12-18-11-19(23)6-7-20(18)25(21)3/h4-7,10-12H,8-9,13-14H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]QRFP43 from human GPR103 receptor expressed in HEK cells after 90 mins incubation by scintillation counting


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
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))
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))
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))
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))
BDBM50045838
PNG
(CHEMBL3314358)
Show SMILES CC1CN(Cc2ccc(CN(C)C)cc12)C(=O)c1cc2cc(Br)ncc2n1C
Show InChI InChI=1/C22H25BrN4O/c1-14-11-27(13-16-6-5-15(7-18(14)16)12-25(2)3)22(28)19-8-17-9-21(23)24-10-20(17)26(19)4/h5-10,14H,11-13H2,1-4H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
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))
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))
BDBM50045842
PNG
(CHEMBL3314354)
Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(I)ncc2n1C
Show InChI InChI=1S/C21H23IN4O/c1-24(2)12-14-4-5-16-13-26(7-6-15(16)8-14)21(27)18-9-17-10-20(22)23-11-19(17)25(18)3/h4-5,8-11H,6-7,12-13H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
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))
BDBM50045831
PNG
(CHEMBL3314352)
Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Br)ncc2n1C
Show InChI InChI=1S/C21H23BrN4O/c1-24(2)12-14-4-5-16-13-26(7-6-15(16)8-14)21(27)18-9-17-10-20(22)23-11-19(17)25(18)3/h4-5,8-11H,6-7,12-13H2,1-3H3
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n/an/a 240n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
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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n/an/a 251n/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))
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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n/an/a 251n/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))
BDBM50045831
PNG
(CHEMBL3314352)
Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Br)ncc2n1C
Show InChI InChI=1S/C21H23BrN4O/c1-24(2)12-14-4-5-16-13-26(7-6-15(16)8-14)21(27)18-9-17-10-20(22)23-11-19(17)25(18)3/h4-5,8-11H,6-7,12-13H2,1-3H3
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n/an/a 280n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]QRFP43 from human GPR103 receptor expressed in HEK cells after 90 mins incubation by scintillation counting


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
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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n/an/a 316n/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))
BDBM50045834
PNG
(CHEMBL3314361)
Show SMILES CC(N(C)C)c1ccc2CN(CCc2c1)C(=O)c1cc2cc(Cl)ncc2n1C
Show InChI InChI=1/C22H25ClN4O/c1-14(25(2)3)15-5-6-17-13-27(8-7-16(17)9-15)22(28)19-10-18-11-21(23)24-12-20(18)26(19)4/h5-6,9-12,14H,7-8,13H2,1-4H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50045837
PNG
(CHEMBL3314359)
Show SMILES CC1N(CCc2cc(CN(C)C)ccc12)C(=O)c1cc2cc(Cl)ncc2n1C
Show InChI InChI=1/C22H25ClN4O/c1-14-18-6-5-15(13-25(2)3)9-16(18)7-8-27(14)22(28)19-10-17-11-21(23)24-12-20(17)26(19)4/h5-6,9-12,14H,7-8,13H2,1-4H3
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n/an/a 500n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
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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n/an/a 501n/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))
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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n/an/a 501n/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))
BDBM50045846
PNG
(CHEMBL3314350)
Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Cl)ncc2n1C
Show InChI InChI=1S/C21H23ClN4O/c1-24(2)12-14-4-5-16-13-26(7-6-15(16)8-14)21(27)18-9-17-10-20(22)23-11-19(17)25(18)3/h4-5,8-11H,6-7,12-13H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
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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n/an/a 631n/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))
BDBM50045836
PNG
(CHEMBL3314360)
Show SMILES CC1Cc2cc(CN(C)C)ccc2CN1C(=O)c1cc2cc(Cl)ncc2n1C
Show InChI InChI=1/C22H25ClN4O/c1-14-7-17-8-15(12-25(2)3)5-6-16(17)13-27(14)22(28)19-9-18-10-21(23)24-11-20(18)26(19)4/h5-6,8-11,14H,7,12-13H2,1-4H3
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n/an/a 710n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
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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n/an/a 794n/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))
BDBM50045830
PNG
(CHEMBL3314362)
Show SMILES CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3
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n/an/a 880n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
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 1.00E+3n/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))
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))
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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n/an/a 1.26E+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))
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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n/an/a 1.59E+3n/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))
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))
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))
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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n/an/a 2.51E+3n/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))
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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PubMed
n/an/a 2.51E+3n/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)
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n/an/a 2.51E+3n/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))
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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UniChem
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n/an/a 2.51E+3n/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))
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))
BDBM50045845
PNG
(CHEMBL3314351)
Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2ccncc2n1C
Show InChI InChI=1S/C21H24N4O/c1-23(2)13-15-4-5-18-14-25(9-7-16(18)10-15)21(26)19-11-17-6-8-22-12-20(17)24(19)3/h4-6,8,10-12H,7,9,13-14H2,1-3H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50045833
PNG
(CHEMBL3314349)
Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C22H24ClN3O/c1-24(2)13-15-4-5-17-14-26(9-8-16(17)10-15)22(27)21-12-18-11-19(23)6-7-20(18)25(21)3/h4-7,10-12H,8-9,13-14H2,1-3H3
PDB

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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 after 20 to 50 mins by high-throughput fluorescence assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
More data for this
Ligand-Target Pair
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