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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with Target = 'G protein-coupled receptor GPR35' AND taxid = 10116   
Target
(Institution)
LigandTarget
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 GPR35


(Rattus norvegicus)
BDBM50435998
PNG
(CHEMBL2392183)
Show SMILES COc1ccc(cn1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C17H11BrN2O6/c1-25-14-3-2-8(7-19-14)16(22)20-11-5-9(18)4-10-12(21)6-13(17(23)24)26-15(10)11/h2-7H,1H3,(H,20,22)(H,23,24)
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n/an/an/an/a 991n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM81975
PNG
(4-hydroxyquinoline-2-carboxylic acid | CAS_492-27-...)
Show SMILES OC(=O)c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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n/an/an/an/a 6.60E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436018
PNG
(CHEMBL2392181)
Show SMILES CCCOc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C20H17NO6/c1-2-10-26-13-8-6-12(7-9-13)19(23)21-15-5-3-4-14-16(22)11-17(20(24)25)27-18(14)15/h3-9,11H,2,10H2,1H3,(H,21,23)(H,24,25)
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n/an/an/an/a 3.61E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436000
PNG
(CHEMBL2392179)
Show SMILES COc1ccc(C(=O)Nc2cc(Br)cc3c2oc(cc3=O)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C18H11BrClNO6/c1-26-9-2-3-10(12(20)6-9)17(23)21-13-5-8(19)4-11-14(22)7-15(18(24)25)27-16(11)13/h2-7H,1H3,(H,21,23)(H,24,25)
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n/an/an/an/a 4.17E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436011
PNG
(CHEMBL2392178)
Show SMILES OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc4OCOc4c3)c2o1
Show InChI InChI=1S/C18H10BrNO7/c19-9-4-10-12(21)6-15(18(23)24)27-16(10)11(5-9)20-17(22)8-1-2-13-14(3-8)26-7-25-13/h1-6H,7H2,(H,20,22)(H,23,24)
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n/an/an/an/a 2.05E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436004
PNG
(CHEMBL2392177)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C19H14BrNO7/c1-26-14-4-3-9(5-15(14)27-2)18(23)21-12-7-10(20)6-11-13(22)8-16(19(24)25)28-17(11)12/h3-8H,1-2H3,(H,21,23)(H,24,25)
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n/an/an/an/a 1.30E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436005
PNG
(CHEMBL2392176)
Show SMILES COc1ccccc1C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO6/c1-25-14-5-3-2-4-10(14)17(22)20-12-7-9(19)6-11-13(21)8-15(18(23)24)26-16(11)12/h2-8H,1H3,(H,20,22)(H,23,24)
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n/an/an/an/a 1.10E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436019
PNG
(CHEMBL2392175)
Show SMILES CCOc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C19H14BrNO6/c1-2-26-12-5-3-10(4-6-12)18(23)21-14-8-11(20)7-13-15(22)9-16(19(24)25)27-17(13)14/h3-9H,2H2,1H3,(H,21,23)(H,24,25)
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n/an/an/an/a 1.36E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436001
PNG
(CHEMBL2392174 | CHEMBL2425818)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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n/an/an/an/a 1.40E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436020
PNG
(CHEMBL2392173)
Show SMILES OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(cc3)C#N)c2o1
Show InChI InChI=1S/C18H9BrN2O5/c19-11-5-12-14(22)7-15(18(24)25)26-16(12)13(6-11)21-17(23)10-3-1-9(8-20)2-4-10/h1-7H,(H,21,23)(H,24,25)
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n/an/an/an/a 2.26E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436003
PNG
(CHEMBL2392172)
Show SMILES OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)c(Cl)c3)c2o1
Show InChI InChI=1S/C17H8BrCl2NO5/c18-8-4-9-13(22)6-14(17(24)25)26-15(9)12(5-8)21-16(23)7-1-2-10(19)11(20)3-7/h1-6H,(H,21,23)(H,24,25)
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n/an/an/an/a 3.25E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436013
PNG
(CHEMBL2392169)
Show SMILES Cc1cccc(c1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO5/c1-9-3-2-4-10(5-9)17(22)20-13-7-11(19)6-12-14(21)8-15(18(23)24)25-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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n/an/an/an/a 2.08E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436021
PNG
(CHEMBL2392168)
Show SMILES OC(=O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccccc3)c2o1
Show InChI InChI=1S/C17H10BrNO5/c18-10-6-11-13(20)8-14(17(22)23)24-15(11)12(7-10)19-16(21)9-4-2-1-3-5-9/h1-8H,(H,19,21)(H,22,23)
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n/an/an/an/a 2.75E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436007
PNG
(CHEMBL2392167)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Cl)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12ClNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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n/an/an/an/a 1.83E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436022
PNG
(CHEMBL2392166)
Show SMILES OC(=O)c1cc(=O)c2cc(Cl)cc(NC(=O)c3ccc(cc3)[N+]([O-])=O)c2o1
Show InChI InChI=1S/C17H9ClN2O7/c18-9-5-11-13(21)7-14(17(23)24)27-15(11)12(6-9)19-16(22)8-1-3-10(4-2-8)20(25)26/h1-7H,(H,19,22)(H,23,24)
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n/an/an/an/a 3.14E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436023
PNG
(CHEMBL2392165)
Show SMILES Cc1cccc(c1)C(=O)Nc1cc(Cl)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12ClNO5/c1-9-3-2-4-10(5-9)17(22)20-13-7-11(19)6-12-14(21)8-15(18(23)24)25-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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n/an/an/an/a 2.10E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436024
PNG
(CHEMBL2392164)
Show SMILES OC(=O)c1cc(=O)c2cc(Cl)cc(NC(=O)c3ccccc3)c2o1
Show InChI InChI=1S/C17H10ClNO5/c18-10-6-11-13(20)8-14(17(22)23)24-15(11)12(7-10)19-16(21)9-4-2-1-3-5-9/h1-8H,(H,19,21)(H,22,23)
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n/an/an/an/a 2.84E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436014
PNG
(CHEMBL2392162)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(F)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12FNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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n/an/an/an/a 1.76E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436015
PNG
(CHEMBL2392161)
Show SMILES OC(=O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(Cl)c(Cl)c3)c2o1
Show InChI InChI=1S/C17H8Cl2FNO5/c18-10-2-1-7(3-11(10)19)16(23)21-12-5-8(20)4-9-13(22)6-14(17(24)25)26-15(9)12/h1-6H,(H,21,23)(H,24,25)
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n/an/an/an/a 2.65E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436016
PNG
(CHEMBL2392159)
Show SMILES OC(=O)c1cc(=O)c2cc(F)cc(NC(=O)c3cccc(Cl)c3Cl)c2o1
Show InChI InChI=1S/C17H8Cl2FNO5/c18-10-3-1-2-8(14(10)19)16(23)21-11-5-7(20)4-9-12(22)6-13(17(24)25)26-15(9)11/h1-6H,(H,21,23)(H,24,25)
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n/an/an/an/a 3.13E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436009
PNG
(CHEMBL2392157)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H13NO6/c1-24-11-7-5-10(6-8-11)17(21)19-13-4-2-3-12-14(20)9-15(18(22)23)25-16(12)13/h2-9H,1H3,(H,19,21)(H,22,23)
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n/an/an/an/a 2.16E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436025
PNG
(CHEMBL2392153)
Show SMILES Cc1cccc(c1)C(=O)Nc1cccc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H13NO5/c1-10-4-2-5-11(8-10)17(21)19-13-7-3-6-12-14(20)9-15(18(22)23)24-16(12)13/h2-9H,1H3,(H,19,21)(H,22,23)
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n/an/an/an/a 2.75E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436026
PNG
(CHEMBL2392148)
Show SMILES OC(=O)c1cc(=O)c2cccc(NC(=O)C3CCCCC3)c2o1
Show InChI InChI=1S/C17H17NO5/c19-13-9-14(17(21)22)23-15-11(13)7-4-8-12(15)18-16(20)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,18,20)(H,21,22)
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436027
PNG
(CHEMBL2392147)
Show SMILES COC(=O)CC(=O)Nc1cccc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C14H11NO7/c1-21-12(18)6-11(17)15-8-4-2-3-7-9(16)5-10(14(19)20)22-13(7)8/h2-5H,6H2,1H3,(H,15,17)(H,19,20)
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n/an/an/an/a 6.65E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50436010
PNG
(CHEMBL2392141)
Show SMILES OC(=O)c1ccc(\C=C2/S\C(NC2=O)=N/c2ccccc2F)cc1
Show InChI InChI=1S/C17H11FN2O3S/c18-12-3-1-2-4-13(12)19-17-20-15(21)14(24-17)9-10-5-7-11(8-6-10)16(22)23/h1-9H,(H,22,23)(H,19,20,21)/b14-9-
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n/an/an/an/a 8.00E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


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Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
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 61n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50404862
PNG
(CROMOLYN SODIUM | Crolom | Cromoglicic Acid | Crom...)
Show SMILES OC(COc1cccc2oc(cc(=O)c12)C([O-])=O)COc1cccc2oc(cc(=O)c12)C([O-])=O
Show InChI InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)/p-2
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n/an/an/an/a 986n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair
G protein-coupled receptor GPR35


(Rattus norvegicus)
BDBM50435999
PNG
(CHEMBL2392182)
Show SMILES COc1ccc(nc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C17H11BrN2O6/c1-25-9-2-3-11(19-7-9)16(22)20-12-5-8(18)4-10-13(21)6-14(17(23)24)26-15(10)12/h2-7H,1H3,(H,20,22)(H,23,24)
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n/an/an/an/a 1.54E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter ...


Citation and Details
More data for this
Ligand-Target Pair