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Compile Data Set for Download or QSAR

Found 9 hits of ec50 data for polymerid = 50006391   
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


(Mus musculus)
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 980n/an/an/an/a



University of Bonn

Curated by ChEMBL


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


J Med Chem 56: 5182-97 (2013)


Article DOI: 10.1021/jm400587g
BindingDB Entry DOI: 10.7270/Q20C4X5B
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Mus musculus)
BDBM50436002
PNG
(CHEMBL2392151)
Show SMILES OC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc4ccccc4c3)c2o1
Show InChI InChI=1S/C21H13NO5/c23-17-11-18(21(25)26)27-19-15(17)6-3-7-16(19)22-20(24)14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,(H,22,24)(H,25,26)
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n/an/an/an/a 2.99E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


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


J Med Chem 56: 5182-97 (2013)


Article DOI: 10.1021/jm400587g
BindingDB Entry DOI: 10.7270/Q20C4X5B
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Mus musculus)
BDBM50436028
PNG
(CHEMBL2392152)
Show SMILES OC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc4ccccc4n3)c2o1
Show InChI InChI=1S/C20H12N2O5/c23-16-10-17(20(25)26)27-18-12(16)5-3-7-14(18)22-19(24)15-9-8-11-4-1-2-6-13(11)21-15/h1-10H,(H,22,24)(H,25,26)
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n/an/an/an/a 3.59E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


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


J Med Chem 56: 5182-97 (2013)


Article DOI: 10.1021/jm400587g
BindingDB Entry DOI: 10.7270/Q20C4X5B
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Mus musculus)
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 4.84E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


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


J Med Chem 56: 5182-97 (2013)


Article DOI: 10.1021/jm400587g
BindingDB Entry DOI: 10.7270/Q20C4X5B
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Mus musculus)
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 4.95E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


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


J Med Chem 56: 5182-97 (2013)


Article DOI: 10.1021/jm400587g
BindingDB Entry DOI: 10.7270/Q20C4X5B
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Mus musculus)
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 4.98E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


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


J Med Chem 56: 5182-97 (2013)


Article DOI: 10.1021/jm400587g
BindingDB Entry DOI: 10.7270/Q20C4X5B
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Mus musculus)
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 5.03E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


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


J Med Chem 56: 5182-97 (2013)


Article DOI: 10.1021/jm400587g
BindingDB Entry DOI: 10.7270/Q20C4X5B
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Mus musculus)
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 6.40E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


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


J Med Chem 56: 5182-97 (2013)


Article DOI: 10.1021/jm400587g
BindingDB Entry DOI: 10.7270/Q20C4X5B
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Mus musculus)
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 1.70E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


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


J Med Chem 56: 5182-97 (2013)


Article DOI: 10.1021/jm400587g
BindingDB Entry DOI: 10.7270/Q20C4X5B
More data for this
Ligand-Target Pair