BDBM50303662 3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-indol-7-yl)-N-(4,5-dichlorothiophen-2-ylsulfonyl)acrylamide::CHEMBL565591

SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12

InChI Key InChIKey=BFBTVZNKWXWKNZ-HWKANZROSA-N

Data  15 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50303662   

TargetCytochrome P450 3A4(Homo sapiens (Human))
deCODE Chemistry Inc

Curated by ChEMBL
LigandPNGBDBM50303662(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of human CYP3A4 using 7-benzyloxy-4-trifluoromethylcoumarin as substrateMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP3 subtype(Homo sapiens (Human))
deCODE Chemistry Inc

Curated by ChEMBL
LigandPNGBDBM50303662(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
Affinity DataIC50: 4.60nMAssay Description:Displacement of [3H]PGE2 from human EP3 receptorMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
deCODE Chemistry Inc

Curated by ChEMBL
LigandPNGBDBM50303662(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
deCODE Chemistry Inc

Curated by ChEMBL
LigandPNGBDBM50303662(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
Affinity DataIC50: 30nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
deCODE Chemistry Inc

Curated by ChEMBL
LigandPNGBDBM50303662(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
Affinity DataIC50: 6.60E+3nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
deCODE Chemistry Inc

Curated by ChEMBL
LigandPNGBDBM50303662(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP3 subtype(Mus musculus (Mouse))
deCODE Chemistry Inc

Curated by ChEMBL
LigandPNGBDBM50303662(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
Affinity DataIC50: 11nMAssay Description:Displacement of [3H]PGE2 from mouse EP3 receptor after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
deCODE Chemistry Inc

Curated by ChEMBL
LigandPNGBDBM50303662(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
Affinity DataIC50: 1.44E+4nMAssay Description:Displacement of [3H]iloprost from human IP receptor after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
deCODE Chemistry Inc

Curated by ChEMBL
LigandPNGBDBM50303662(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
Affinity DataIC50: 8.04E+3nMAssay Description:Displacement of [3H]PGE2 from human EP4 receptor after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP2 subtype(Homo sapiens (Human))
deCODE Chemistry Inc

Curated by ChEMBL
LigandPNGBDBM50303662(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
Affinity DataIC50: 4.17E+3nMAssay Description:Displacement of [3H]PGE2 from human EP2 receptor after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP1 subtype(Homo sapiens (Human))
deCODE Chemistry Inc

Curated by ChEMBL
LigandPNGBDBM50303662(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
Affinity DataIC50: 2.00E+4nMAssay Description:Displacement of [3H]PGE2 from human EP1 receptor after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP3 subtype(Homo sapiens (Human))
deCODE Chemistry Inc

Curated by ChEMBL
LigandPNGBDBM50303662(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
Affinity DataIC50: 4.60nMAssay Description:Displacement of [3H]PGE2 from human EP3 receptor after 60 mins repeated washing by liquid scintillation countingMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP3 subtype(Homo sapiens (Human))
deCODE Chemistry Inc

Curated by ChEMBL
LigandPNGBDBM50303662(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
Affinity DataIC50: 6nMAssay Description:Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting in presence of 10% human serumMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP3 subtype(Homo sapiens (Human))
deCODE Chemistry Inc

Curated by ChEMBL
LigandPNGBDBM50303662(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
Affinity DataIC50: 4.60nMAssay Description:Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
deCODE Chemistry Inc

Curated by ChEMBL
LigandPNGBDBM50303662(3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-ind...)
Show SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Show InChI InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
Affinity DataIC50: 7.60E+3nMAssay Description:Inhibition of human CYP3A4 using dibenzylfluorescein as substrateMore data for this Ligand-Target Pair