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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50042102   
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
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420388
PNG
(CHEMBL2089229)
Show SMILES Cc1c(sc2cc(Br)c(O)c(Br)c12)C(O)=O
Show InChI InChI=1S/C10H6Br2O3S/c1-3-6-5(16-9(3)10(14)15)2-4(11)8(13)7(6)12/h2,13H,1H3,(H,14,15)
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n/an/an/an/a 4.65E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin transl...


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420390
PNG
(CHEMBL2089220)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C16H11NO6/c18-11-5-9-10(6-12(11)19)17-14(16(22)23)13(9)7-2-1-3-8(4-7)15(20)21/h1-6,17-19H,(H,20,21)(H,22,23)
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n/an/an/an/a 7.57E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin transl...


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM14363
PNG
(3-(2-propoxyphenyl)-2,4,7,8,9-pentazabicyclo[4.3.0...)
Show SMILES CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
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n/an/an/an/a 140n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420390
PNG
(CHEMBL2089220)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C16H11NO6/c18-11-5-9-10(6-12(11)19)17-14(16(22)23)13(9)7-2-1-3-8(4-7)15(20)21/h1-6,17-19H,(H,20,21)(H,22,23)
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n/an/an/an/a 2.49E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420397
PNG
(CHEMBL2086422)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1ccsc1
Show InChI InChI=1S/C13H9NO4S/c15-9-3-7-8(4-10(9)16)14-12(13(17)18)11(7)6-1-2-19-5-6/h1-5,14-16H,(H,17,18)
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n/an/an/an/a 6.12E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin transl...


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420376
PNG
(CHEMBL267855)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2[nH]1
Show InChI InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10-12H,(H,13,14)
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n/an/an/an/a 2.32E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin transl...


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420378
PNG
(CHEMBL2089193)
Show SMILES CCn1c(cc2cc(O)c(O)cc12)C(O)=O
Show InChI InChI=1S/C11H11NO4/c1-2-12-7-5-10(14)9(13)4-6(7)3-8(12)11(15)16/h3-5,13-14H,2H2,1H3,(H,15,16)
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n/an/an/an/a 7.71E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420377
PNG
(CHEMBL2089192)
Show SMILES Cn1c(cc2cc(O)c(O)cc12)C(O)=O
Show InChI InChI=1S/C10H9NO4/c1-11-6-4-9(13)8(12)3-5(6)2-7(11)10(14)15/h2-4,12-13H,1H3,(H,14,15)
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n/an/an/an/a 6.42E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420393
PNG
(CHEMBL2089223)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1cc(F)cc(F)c1
Show InChI InChI=1S/C15H9F2NO4/c16-7-1-6(2-8(17)3-7)13-9-4-11(19)12(20)5-10(9)18-14(13)15(21)22/h1-5,18-20H,(H,21,22)
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n/an/an/an/a 4.36E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420392
PNG
(CHEMBL2089222)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C15H9Cl2NO4/c16-7-1-6(2-8(17)3-7)13-9-4-11(19)12(20)5-10(9)18-14(13)15(21)22/h1-5,18-20H,(H,21,22)
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n/an/an/an/a 2.42E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin transl...


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420380
PNG
(CHEMBL2089195)
Show SMILES Cc1ccc(Cn2c(cc3cc(O)c(O)cc23)C(O)=O)cc1
Show InChI InChI=1S/C17H15NO4/c1-10-2-4-11(5-3-10)9-18-13-8-16(20)15(19)7-12(13)6-14(18)17(21)22/h2-8,19-20H,9H2,1H3,(H,21,22)
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n/an/an/an/a 1.73E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420394
PNG
(CHEMBL2089224)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClNO4/c16-8-3-1-7(2-4-8)13-9-5-11(18)12(19)6-10(9)17-14(13)15(20)21/h1-6,17-19H,(H,20,21)
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n/an/an/an/a 3.87E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin transl...


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420386
PNG
(CHEMBL2089227)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2s1
Show InChI InChI=1S/C9H6O4S/c10-5-1-4-2-8(9(12)13)14-7(4)3-6(5)11/h1-3,10-11H,(H,12,13)
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n/an/an/an/a 7.35E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420385
PNG
(CHEMBL2089218)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1cccc(Cl)c1
Show InChI InChI=1S/C15H10ClNO4/c16-8-3-1-2-7(4-8)13-9-5-11(18)12(19)6-10(9)17-14(13)15(20)21/h1-6,17-19H,(H,20,21)
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n/an/an/an/a 2.48E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420396
PNG
(CHEMBL2089226)
Show SMILES Cc1c(oc2cc(O)c(O)cc12)C(O)=O
Show InChI InChI=1S/C10H8O5/c1-4-5-2-6(11)7(12)3-8(5)15-9(4)10(13)14/h2-3,11-12H,1H3,(H,13,14)
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n/an/an/an/a 1.33E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin transl...


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420383
PNG
(CHEMBL2089199)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1Br
Show InChI InChI=1S/C9H6BrNO4/c10-7-3-1-5(12)6(13)2-4(3)11-8(7)9(14)15/h1-2,11-13H,(H,14,15)
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n/an/an/an/a 4.10E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420387
PNG
(CHEMBL2089228)
Show SMILES Cc1c(sc2cc(O)c(O)cc12)C(O)=O
Show InChI InChI=1S/C10H8O4S/c1-4-5-2-6(11)7(12)3-8(5)15-9(4)10(13)14/h2-3,11-12H,1H3,(H,13,14)
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n/an/an/an/a 9.06E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin transl...


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420376
PNG
(CHEMBL267855)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2[nH]1
Show InChI InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10-12H,(H,13,14)
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n/an/an/an/a 2.36E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420379
PNG
(CHEMBL2089194)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2n1Cc1ccccc1
Show InChI InChI=1S/C16H13NO4/c18-14-7-11-6-13(16(20)21)17(12(11)8-15(14)19)9-10-4-2-1-3-5-10/h1-8,18-19H,9H2,(H,20,21)
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n/an/an/an/a 4.35E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420381
PNG
(CHEMBL2089196)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2n1CC(=O)c1ccccc1
Show InChI InChI=1S/C17H13NO5/c19-14-7-11-6-13(17(22)23)18(12(11)8-15(14)20)9-16(21)10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,22,23)
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n/an/an/an/a 4.37E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420382
PNG
(CHEMBL2089197)
Show SMILES Cc1ccc(cc1)C(=O)Cn1c(cc2cc(O)c(O)cc12)C(O)=O
Show InChI InChI=1S/C18H15NO5/c1-10-2-4-11(5-3-10)17(22)9-19-13-8-16(21)15(20)7-12(13)6-14(19)18(23)24/h2-8,20-21H,9H2,1H3,(H,23,24)
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n/an/an/an/a 3.97E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420384
PNG
(CHEMBL2089217)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1ccccc1
Show InChI InChI=1S/C15H11NO4/c17-11-6-9-10(7-12(11)18)16-14(15(19)20)13(9)8-4-2-1-3-5-8/h1-7,16-18H,(H,19,20)
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n/an/an/an/a 2.02E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420386
PNG
(CHEMBL2089227)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2s1
Show InChI InChI=1S/C9H6O4S/c10-5-1-4-2-8(9(12)13)14-7(4)3-6(5)11/h1-3,10-11H,(H,12,13)
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n/an/an/an/a 5.20E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin transl...


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420389
PNG
(CHEMBL2089219)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1cccnc1
Show InChI InChI=1S/C14H10N2O4/c17-10-4-8-9(5-11(10)18)16-13(14(19)20)12(8)7-2-1-3-15-6-7/h1-6,16-18H,(H,19,20)
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n/an/an/an/a 8.40E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420392
PNG
(CHEMBL2089222)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C15H9Cl2NO4/c16-7-1-6(2-8(17)3-7)13-9-4-11(19)12(20)5-10(9)18-14(13)15(21)22/h1-5,18-20H,(H,21,22)
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n/an/an/an/a 1.06E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420394
PNG
(CHEMBL2089224)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClNO4/c16-8-3-1-7(2-4-8)13-9-5-11(18)12(19)6-10(9)17-14(13)15(20)21/h1-6,17-19H,(H,20,21)
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n/an/an/an/a 2.54E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420395
PNG
(CHEMBL2089225)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H10F3NO4/c17-16(18,19)8-3-1-7(2-4-8)13-9-5-11(21)12(22)6-10(9)20-14(13)15(23)24/h1-6,20-22H,(H,23,24)
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n/an/an/an/a 1.29E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420396
PNG
(CHEMBL2089226)
Show SMILES Cc1c(oc2cc(O)c(O)cc12)C(O)=O
Show InChI InChI=1S/C10H8O5/c1-4-5-2-6(11)7(12)3-8(5)15-9(4)10(13)14/h2-3,11-12H,1H3,(H,13,14)
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n/an/an/an/a 1.62E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420387
PNG
(CHEMBL2089228)
Show SMILES Cc1c(sc2cc(O)c(O)cc12)C(O)=O
Show InChI InChI=1S/C10H8O4S/c1-4-5-2-6(11)7(12)3-8(5)15-9(4)10(13)14/h2-3,11-12H,1H3,(H,13,14)
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n/an/an/an/a 6.17E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420388
PNG
(CHEMBL2089229)
Show SMILES Cc1c(sc2cc(Br)c(O)c(Br)c12)C(O)=O
Show InChI InChI=1S/C10H6Br2O3S/c1-3-6-5(16-9(3)10(14)15)2-4(11)8(13)7(6)12/h2,13H,1H3,(H,14,15)
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n/an/an/an/a 160n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM14363
PNG
(3-(2-propoxyphenyl)-2,4,7,8,9-pentazabicyclo[4.3.0...)
Show SMILES CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
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n/an/an/an/a 5.30E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin transl...


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420377
PNG
(CHEMBL2089192)
Show SMILES Cn1c(cc2cc(O)c(O)cc12)C(O)=O
Show InChI InChI=1S/C10H9NO4/c1-11-6-4-9(13)8(12)3-5(6)2-7(11)10(14)15/h2-4,12-13H,1H3,(H,14,15)
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n/an/an/an/a 4.54E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin transl...


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420378
PNG
(CHEMBL2089193)
Show SMILES CCn1c(cc2cc(O)c(O)cc12)C(O)=O
Show InChI InChI=1S/C11H11NO4/c1-2-12-7-5-10(14)9(13)4-6(7)3-8(12)11(15)16/h3-5,13-14H,2H2,1H3,(H,15,16)
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n/an/an/an/a 4.57E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin transl...


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420380
PNG
(CHEMBL2089195)
Show SMILES Cc1ccc(Cn2c(cc3cc(O)c(O)cc23)C(O)=O)cc1
Show InChI InChI=1S/C17H15NO4/c1-10-2-4-11(5-3-10)9-18-13-8-16(20)15(19)7-12(13)6-14(18)17(21)22/h2-8,19-20H,9H2,1H3,(H,21,22)
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n/an/an/an/a>5.00E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin transl...


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420383
PNG
(CHEMBL2089199)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1Br
Show InChI InChI=1S/C9H6BrNO4/c10-7-3-1-5(12)6(13)2-4(3)11-8(7)9(14)15/h1-2,11-13H,(H,14,15)
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n/an/an/an/a 1.66E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin transl...


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420385
PNG
(CHEMBL2089218)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1cccc(Cl)c1
Show InChI InChI=1S/C15H10ClNO4/c16-8-3-1-2-7(4-8)13-9-5-11(18)12(19)6-10(9)17-14(13)15(20)21/h1-6,17-19H,(H,20,21)
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n/an/an/an/a 3.44E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin transl...


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420391
PNG
(CHEMBL2089221)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H11NO6/c18-11-5-9-10(6-12(11)19)17-14(16(22)23)13(9)7-1-3-8(4-2-7)15(20)21/h1-6,17-19H,(H,20,21)(H,22,23)
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n/an/an/an/a 1.08E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin transl...


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420393
PNG
(CHEMBL2089223)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1cc(F)cc(F)c1
Show InChI InChI=1S/C15H9F2NO4/c16-7-1-6(2-8(17)3-7)13-9-4-11(19)12(20)5-10(9)18-14(13)15(21)22/h1-5,18-20H,(H,21,22)
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n/an/an/an/a 1.09E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin transl...


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420397
PNG
(CHEMBL2086422)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1ccsc1
Show InChI InChI=1S/C13H9NO4S/c15-9-3-7-8(4-10(9)16)14-12(13(17)18)11(7)6-1-2-19-5-6/h1-5,14-16H,(H,17,18)
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n/an/an/an/a 1.03E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50420391
PNG
(CHEMBL2089221)
Show SMILES OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H11NO6/c18-11-5-9-10(6-12(11)19)17-14(16(22)23)13(9)7-1-3-8(4-2-7)15(20)21/h1-6,17-19H,(H,20,21)(H,22,23)
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n/an/an/an/a 2.26E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay


ACS Med Chem Lett 3: 550-554 (2012)


Article DOI: 10.1021/ml300076u
BindingDB Entry DOI: 10.7270/Q2WM1FN5
More data for this
Ligand-Target Pair