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Compile Data Set for Download or QSAR

Found 95 hits with Last Name = 'ferrie' and Initial = 'am'   
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))
BDBM50357187
PNG
(CHEMBL1914576)
Show SMILES [#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1([#6])c1ccc(Cl)c(Cl)c1)=[#6](\C#N)C#N |c:1|
Show InChI InChI=1S/C16H9Cl2N3O/c1-9-12(8-21)15(10(6-19)7-20)22-16(9,2)11-3-4-13(17)14(18)5-11/h3-5H,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357192
PNG
(CHEMBL1914588)
Show SMILES Cc1c(sc2c(Br)csc12)C(O)=O
Show InChI InChI=1S/C8H5BrO2S2/c1-3-5-7(4(9)2-12-5)13-6(3)8(10)11/h2H,1H3,(H,10,11)
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n/an/a 110n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357192
PNG
(CHEMBL1914588)
Show SMILES Cc1c(sc2c(Br)csc12)C(O)=O
Show InChI InChI=1S/C8H5BrO2S2/c1-3-5-7(4(9)2-12-5)13-6(3)8(10)11/h2H,1H3,(H,10,11)
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM33413
PNG
(benzo[7]annulene-8-carboxylic acid, 5)
Show SMILES OC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1
Show InChI InChI=1S/C12H8O6/c13-7-2-1-5-3-6(12(17)18)4-8(14)11(16)9(5)10(7)15/h1-4,13,15H,(H,14,16)(H,17,18)
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50384789
PNG
(CHEMBL2037378 | Laccaic acid A (LCA))
Show SMILES CC(=O)NCCc1ccc(O)c(c1)-c1c(O)c(O)c2C(=O)c3cc(O)c(C(O)=O)c(C(O)=O)c3C(=O)c2c1O |(18.51,2.43,;18.52,.89,;19.87,.13,;17.2,.1,;17.22,-1.44,;15.9,-2.22,;15.92,-3.76,;17.26,-4.52,;17.28,-6.06,;15.95,-6.84,;15.96,-8.38,;14.61,-6.08,;14.6,-4.54,;13.29,-6.86,;13.31,-8.42,;14.64,-9.18,;11.96,-9.2,;11.97,-10.74,;10.62,-8.43,;9.28,-9.21,;9.28,-10.75,;7.94,-8.44,;6.6,-9.21,;5.27,-8.44,;3.93,-9.21,;5.27,-6.89,;3.93,-6.12,;2.6,-6.89,;3.93,-4.59,;6.59,-6.12,;6.59,-4.59,;5.26,-3.82,;7.92,-3.81,;7.93,-6.89,;9.26,-6.1,;9.26,-4.56,;10.61,-6.88,;11.95,-6.09,;11.93,-4.56,)|
Show InChI InChI=1S/C26H19NO12/c1-8(28)27-5-4-9-2-3-12(29)10(6-9)15-22(33)19-18(24(35)23(15)34)20(31)11-7-13(30)16(25(36)37)17(26(38)39)14(11)21(19)32/h2-3,6-7,29-30,33-35H,4-5H2,1H3,(H,27,28)(H,36,37)(H,38,39)
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n/an/a 390n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357190
PNG
(CHEMBL1914590)
Show SMILES CCCCCCCCCCCc1c(sc2c(Br)csc12)C(O)=O
Show InChI InChI=1S/C18H25BrO2S2/c1-2-3-4-5-6-7-8-9-10-11-13-15-17(14(19)12-22-15)23-16(13)18(20)21/h12H,2-11H2,1H3,(H,20,21)
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Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357191
PNG
(CHEMBL1914589)
Show SMILES CCCCCCCCc1c(sc2c(Br)csc12)C(O)=O
Show InChI InChI=1S/C15H19BrO2S2/c1-2-3-4-5-6-7-8-10-12-14(11(16)9-19-12)20-13(10)15(17)18/h9H,2-8H2,1H3,(H,17,18)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
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/a 1.22E+3n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
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/a 1.22E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM85507
PNG
(CAS_4394-00-7 | NSC_4488 | Niflumic acid | Niflumi...)
Show SMILES OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
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n/an/a 1.28E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357203
PNG
(CHEMBL1914585)
Show SMILES CCCCCCc1c(sc2ccsc12)C(O)=O
Show InChI InChI=1S/C13H16O2S2/c1-2-3-4-5-6-9-11-10(7-8-16-11)17-12(9)13(14)15/h7-8H,2-6H2,1H3,(H,14,15)
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n/an/a 1.49E+3n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357189
PNG
(CHEMBL1914591)
Show SMILES CCCCCCCCCCCCCc1c(sc2c(Br)csc12)C(O)=O
Show InChI InChI=1S/C20H29BrO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-17-19(16(21)14-24-17)25-18(15)20(22)23/h14H,2-13H2,1H3,(H,22,23)
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n/an/a 1.87E+3n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357201
PNG
(CHEMBL1914578)
Show SMILES [#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1(c1ccccc1)C(F)(F)F)=[#6](\C#N)C#N |c:1|
Show InChI InChI=1S/C16H8F3N3O/c1-10-13(9-22)14(11(7-20)8-21)23-15(10,16(17,18)19)12-5-3-2-4-6-12/h2-6H,1H3
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n/an/a 1.94E+3n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 2.12E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357202
PNG
(CHEMBL1914577)
Show SMILES [#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1([#6])c1c(F)c(F)c(F)c(F)c1F)=[#6](/C#N)C#N |c:1|
Show InChI InChI=1S/C16H6F5N3O/c1-6-8(5-24)15(7(3-22)4-23)25-16(6,2)9-10(17)12(19)14(21)13(20)11(9)18/h1-2H3
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n/an/a 4.48E+3n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50294526
PNG
(CHEMBL551842 | cid_73157 | lobaric acid)
Show SMILES CCCCCc1c2Oc3cc(OC)cc(C(=O)CCCC)c3C(=O)Oc2cc(O)c1C(O)=O
Show InChI InChI=1S/C25H28O8/c1-4-6-8-9-15-21(24(28)29)18(27)13-20-23(15)32-19-12-14(31-3)11-16(17(26)10-7-5-2)22(19)25(30)33-20/h11-13,27H,4-10H2,1-3H3,(H,28,29)
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n/an/a 4.54E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50384788
PNG
(LAPACHOL)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]-1-[#6](=O)-[#6](=O)-c2ccccc2-[#6]-1=O
Show InChI InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,12H,8H2,1-2H3
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n/an/a 4.66E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357194
PNG
(CHEMBL1914586)
Show SMILES CCCCCCc1csc2cc(sc12)C(O)=O
Show InChI InChI=1S/C13H16O2S2/c1-2-3-4-5-6-9-8-16-10-7-11(13(14)15)17-12(9)10/h7-8H,2-6H2,1H3,(H,14,15)
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n/an/a 4.69E+3n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357188
PNG
(CHEMBL1914592)
Show SMILES CCCCCCCCCCCCCCCc1c(sc2c(Br)csc12)C(O)=O
Show InChI InChI=1S/C22H33BrO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-19-21(18(23)16-26-19)27-20(17)22(24)25/h16H,2-15H2,1H3,(H,24,25)
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n/an/a 5.92E+3n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357193
PNG
(CHEMBL1914587)
Show SMILES Cc1csc2c1sc1cc(sc21)C(O)=O
Show InChI InChI=1S/C10H6O2S3/c1-4-3-13-9-7(4)14-5-2-6(10(11)12)15-8(5)9/h2-3H,1H3,(H,11,12)
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n/an/a 6.07E+3n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357198
PNG
(CHEMBL1914581)
Show SMILES [#6]-[#6]-[#6]-[#6]-c1ccc(cc1)C1([#6])[#8]\[#6](=[#6](\C#N)C#N)-[#6](C#N)=[#6]1-[#6] |c:22|
Show InChI InChI=1S/C20H19N3O/c1-4-5-6-15-7-9-17(10-8-15)20(3)14(2)18(13-23)19(24-20)16(11-21)12-22/h7-10H,4-6H2,1-3H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357199
PNG
(CHEMBL1914580)
Show SMILES [#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1([#6])c1ccc(Cl)c(Cl)c1Cl)=[#6](/C#N)C#N |c:1|
Show InChI InChI=1S/C16H8Cl3N3O/c1-8-10(7-22)15(9(5-20)6-21)23-16(8,2)11-3-4-12(17)14(19)13(11)18/h3-4H,1-2H3
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n/an/a 1.03E+4n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
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/a 1.05E+4n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at GPR35 in human HT-29 cells assessed as inhibition of zaprinast-induced DMR by dynamic mass redistribution assay


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357195
PNG
(CHEMBL1914584)
Show SMILES [#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1([#6])[#6])=[#6](/C#N)C#N |c:1|
Show InChI InChI=1S/C11H9N3O/c1-7-9(6-14)10(8(4-12)5-13)15-11(7,2)3/h1-3H3
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n/an/a 1.21E+4n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 1.54E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357197
PNG
(CHEMBL1914582)
Show SMILES [#6]-[#6]1=[#6](C#N)\[#6](-[#8]C11[#6]-[#6]-[#6]-[#6]-[#6]1)=[#6](\C#N)C#N |c:1|
Show InChI InChI=1S/C14H13N3O/c1-10-12(9-17)13(11(7-15)8-16)18-14(10)5-3-2-4-6-14/h2-6H2,1H3
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n/an/a 1.64E+4n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 1.86E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357200
PNG
(CHEMBL1914579)
Show SMILES [#6]-[#6]1=[#6](C#N)\[#6](-[#8]C11c2ccccc2-c2ccccc12)=[#6](/C#N)C#N |c:1|
Show InChI InChI=1S/C21H11N3O/c1-13-17(12-24)20(14(10-22)11-23)25-21(13)18-8-4-2-6-15(18)16-7-3-5-9-19(16)21/h2-9H,1H3
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n/an/a 2.16E+4n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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n/an/a 2.82E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM80831
PNG
(3,4,6a,10-tetrahydroxy-6,7-dihydroindeno[2,1-c][1]...)
Show SMILES Oc1ccc2C3=C4CC(=O)C(=O)C=C4CC3(O)COc2c1O |c:5,12|
Show InChI InChI=1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-3,17,20-21H,4-6H2
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n/an/a 3.04E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM4350
PNG
((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid ...)
Show SMILES OC(=O)C(=C\c1ccc(O)cc1)\C#N
Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+
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n/an/a 3.04E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins


ACS Med Chem Lett 3: 165-169 (2012)


Article DOI: 10.1021/ml2003058
BindingDB Entry DOI: 10.7270/Q2DB82W9
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357196
PNG
(CHEMBL1914583)
Show SMILES [#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1([#6])c1ccc(F)cc1F)=[#6](\C#N)C#N |c:1|
Show InChI InChI=1S/C16H9F2N3O/c1-9-12(8-21)15(10(6-19)7-20)22-16(9,2)13-4-3-11(17)5-14(13)18/h3-5H,1-2H3
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n/an/a 4.89E+4n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM48329
PNG
(5-thieno[3,2-b]thiophenecarboxylic acid | MLS00003...)
Show SMILES OC(=O)c1cc2sccc2s1
Show InChI InChI=1S/C7H4O2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3H,(H,8,9)
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n/an/a 5.70E+4n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357187
PNG
(CHEMBL1914576)
Show SMILES [#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1([#6])c1ccc(Cl)c(Cl)c1)=[#6](\C#N)C#N |c:1|
Show InChI InChI=1S/C16H9Cl2N3O/c1-9-12(8-21)15(10(6-19)7-20)22-16(9,2)11-3-4-13(17)14(18)5-11/h3-5H,1-2H3
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n/an/an/an/a 1.02E+4n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human U20S cells expressing beta-lactamase and GPR35-GA14-VP16 transcription factor fusion protein assessed as transcrip...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
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 4.20E+3n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human U20S cells expressing beta-lactamase and GPR35-GA14-VP16 transcription factor fusion protein assessed as transcrip...


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357188
PNG
(CHEMBL1914592)
Show SMILES CCCCCCCCCCCCCCCc1c(sc2c(Br)csc12)C(O)=O
Show InChI InChI=1S/C22H33BrO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-19-21(18(23)16-26-19)27-20(17)22(24)25/h16H,2-15H2,1H3,(H,24,25)
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n/an/an/an/a 4.56E+3n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redistribution assay


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357189
PNG
(CHEMBL1914591)
Show SMILES CCCCCCCCCCCCCc1c(sc2c(Br)csc12)C(O)=O
Show InChI InChI=1S/C20H29BrO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-17-19(16(21)14-24-17)25-18(15)20(22)23/h14H,2-13H2,1H3,(H,22,23)
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n/an/an/an/a 2.31E+3n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redistribution assay


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357190
PNG
(CHEMBL1914590)
Show SMILES CCCCCCCCCCCc1c(sc2c(Br)csc12)C(O)=O
Show InChI InChI=1S/C18H25BrO2S2/c1-2-3-4-5-6-7-8-9-10-11-13-15-17(14(19)12-22-15)23-16(13)18(20)21/h12H,2-11H2,1H3,(H,20,21)
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n/an/an/an/a 1.89E+3n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redistribution assay


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357191
PNG
(CHEMBL1914589)
Show SMILES CCCCCCCCc1c(sc2c(Br)csc12)C(O)=O
Show InChI InChI=1S/C15H19BrO2S2/c1-2-3-4-5-6-7-8-10-12-14(11(16)9-19-12)20-13(10)15(17)18/h9H,2-8H2,1H3,(H,17,18)
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n/an/an/an/a 1.46E+3n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redistribution assay


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357192
PNG
(CHEMBL1914588)
Show SMILES Cc1c(sc2c(Br)csc12)C(O)=O
Show InChI InChI=1S/C8H5BrO2S2/c1-3-5-7(4(9)2-12-5)13-6(3)8(10)11/h2H,1H3,(H,10,11)
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n/an/an/an/a 64n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redistribution assay


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357193
PNG
(CHEMBL1914587)
Show SMILES Cc1csc2c1sc1cc(sc21)C(O)=O
Show InChI InChI=1S/C10H6O2S3/c1-4-3-13-9-7(4)14-5-2-6(10(11)12)15-8(5)9/h2-3H,1H3,(H,11,12)
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n/an/an/an/a 6.00E+3n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redistribution assay


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357194
PNG
(CHEMBL1914586)
Show SMILES CCCCCCc1csc2cc(sc12)C(O)=O
Show InChI InChI=1S/C13H16O2S2/c1-2-3-4-5-6-9-8-16-10-7-11(13(14)15)17-12(9)10/h7-8H,2-6H2,1H3,(H,14,15)
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n/an/an/an/a 9.40E+3n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redistribution assay


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357203
PNG
(CHEMBL1914585)
Show SMILES CCCCCCc1c(sc2ccsc12)C(O)=O
Show InChI InChI=1S/C13H16O2S2/c1-2-3-4-5-6-9-11-10(7-8-16-11)17-12(9)13(14)15/h7-8H,2-6H2,1H3,(H,14,15)
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n/an/an/an/a 3.44E+3n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redistribution assay


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357195
PNG
(CHEMBL1914584)
Show SMILES [#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1([#6])[#6])=[#6](/C#N)C#N |c:1|
Show InChI InChI=1S/C11H9N3O/c1-7-9(6-14)10(8(4-12)5-13)15-11(7,2)3/h1-3H3
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n/an/an/an/a 1.71E+4n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redistribution assay


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357196
PNG
(CHEMBL1914583)
Show SMILES [#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1([#6])c1ccc(F)cc1F)=[#6](\C#N)C#N |c:1|
Show InChI InChI=1S/C16H9F2N3O/c1-9-12(8-21)15(10(6-19)7-20)22-16(9,2)13-4-3-11(17)5-14(13)18/h3-5H,1-2H3
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n/an/an/an/a 5.39E+4n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redistribution assay


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357197
PNG
(CHEMBL1914582)
Show SMILES [#6]-[#6]1=[#6](C#N)\[#6](-[#8]C11[#6]-[#6]-[#6]-[#6]-[#6]1)=[#6](\C#N)C#N |c:1|
Show InChI InChI=1S/C14H13N3O/c1-10-12(9-17)13(11(7-15)8-16)18-14(10)5-3-2-4-6-14/h2-6H2,1H3
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n/an/an/an/a 4.59E+4n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redistribution assay


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357198
PNG
(CHEMBL1914581)
Show SMILES [#6]-[#6]-[#6]-[#6]-c1ccc(cc1)C1([#6])[#8]\[#6](=[#6](\C#N)C#N)-[#6](C#N)=[#6]1-[#6] |c:22|
Show InChI InChI=1S/C20H19N3O/c1-4-5-6-15-7-9-17(10-8-15)20(3)14(2)18(13-23)19(24-20)16(11-21)12-22/h7-10H,4-6H2,1-3H3
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n/an/an/an/a 1.53E+4n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redistribution assay


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50357199
PNG
(CHEMBL1914580)
Show SMILES [#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1([#6])c1ccc(Cl)c(Cl)c1Cl)=[#6](/C#N)C#N |c:1|
Show InChI InChI=1S/C16H8Cl3N3O/c1-8-10(7-22)15(9(5-20)6-21)23-16(8,2)11-3-4-12(17)14(19)13(11)18/h3-4H,1-2H3
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n/an/an/an/a 1.11E+4n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redistribution assay


J Med Chem 54: 7385-96 (2011)


Article DOI: 10.1021/jm200999f
BindingDB Entry DOI: 10.7270/Q2XG9RKZ
More data for this
Ligand-Target Pair
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