BDBM50296848 2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid::CHEMBL563949

SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1

InChI Key InChIKey=HLSYGDSWXJGENX-UHFFFAOYSA-N

Data  3 KI  18 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50296848   

TargetProstaglandin D2 receptor 2(Mus musculus (mouse))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataKi:  28nMAssay Description:Displacement of [3H]PGD2 from mouse CRTh2 receptor expressed in K562 cellsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataKi:  31nMAssay Description:Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataKi:  31nMAssay Description:Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataIC50: 17nMAssay Description:Antagonist activity against CRTh2 receptor in human whole blood assessed as eosinophil shape changeMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity against prostaglandin E2 receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataIC50: 1.00E+4nMAssay Description:Binding affinity to human prostaglandin D2 receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP3 subtype(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity against prostaglandin E3 receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity against prostaglandin E4 receptorMore data for this Ligand-Target Pair
TargetProstaglandin F2-alpha receptor(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity against prostaglandin F receptorMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataIC50: 1.00E+4nMAssay Description:Binding affinity to human thromboxane A2 receptorMore data for this Ligand-Target Pair
TargetCholecystokinin receptor type A(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataIC50: 8.10E+3nMAssay Description:Inhibition of CCKalpha receptorMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Mus musculus (mouse))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataIC50: 167nMAssay Description:Antagonist activity against mouse CRTh2 receptor expressed in K562 cells by [35S]GTPgamma binding assayMore data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataIC50: 9nMAssay Description:Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape changeMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataIC50: 60nMAssay Description:Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as effect on cAMP accumulationMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataIC50: 9nMAssay Description:Antagonist activity at CRTh2 receptor in human isolated eosinophil assessed as inhibition of DK-PGD2-induced shape change after 5 mins by flow cytome...More data for this Ligand-Target Pair
TargetProstaglandin D2 receptor 2(Homo sapiens (Human))
Novartis Institutes of BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50296848(2-(1-(3,4-difluorophenylsulfonyl)-2-methyl-1H-pyrr...)
Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H12F2N2O4S/c1-9-12(8-15(21)22)11-3-2-6-19-16(11)20(9)25(23,24)10-4-5-13(17)14(18)7-10/h2-7H,8H2,1H3,(H,21,22)
Affinity DataIC50: 60nMAssay Description:Antagonist activity at human CRTh2 receptor expressed in CHO cells assessed as inhibition of prostaglandin D2 and forskolin-induced cAMP accumulation...More data for this Ligand-Target Pair