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BDBM50315469 3-(3-hydroxy-1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)-N-(2,4,5-trifluorophenylsulfonyl)acrylamide::CHEMBL1093125

SMILES: OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cc(F)c(F)cc1F

InChI Key: InChIKey=FBMLUXABXAEURE-ZHACJKMWSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50315469   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50315469
PNG
(3-(3-hydroxy-1-(naphthalen-2-ylmethyl)-2-oxoindoli...)
Show SMILES OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C28H19F3N2O5S/c29-21-13-23(31)24(14-22(21)30)39(37,38)32-25(34)11-10-18-6-3-7-20-26(18)33(28(36)27(20)35)15-16-8-9-17-4-1-2-5-19(17)12-16/h1-14,27,35H,15H2,(H,32,34)/b11-10+
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n/an/a>2.00E+4n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to human EP2 receptor by radioligand displacement assay


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50315469
PNG
(3-(3-hydroxy-1-(naphthalen-2-ylmethyl)-2-oxoindoli...)
Show SMILES OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C28H19F3N2O5S/c29-21-13-23(31)24(14-22(21)30)39(37,38)32-25(34)11-10-18-6-3-7-20-26(18)33(28(36)27(20)35)15-16-8-9-17-4-1-2-5-19(17)12-16/h1-14,27,35H,15H2,(H,32,34)/b11-10+
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n/an/a 8.70E+3n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor by radioligand displacement assay


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315469
PNG
(3-(3-hydroxy-1-(naphthalen-2-ylmethyl)-2-oxoindoli...)
Show SMILES OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C28H19F3N2O5S/c29-21-13-23(31)24(14-22(21)30)39(37,38)32-25(34)11-10-18-6-3-7-20-26(18)33(28(36)27(20)35)15-16-8-9-17-4-1-2-5-19(17)12-16/h1-14,27,35H,15H2,(H,32,34)/b11-10+
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n/an/a 9.40n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in presence of 10% human serum


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50315469
PNG
(3-(3-hydroxy-1-(naphthalen-2-ylmethyl)-2-oxoindoli...)
Show SMILES OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C28H19F3N2O5S/c29-21-13-23(31)24(14-22(21)30)39(37,38)32-25(34)11-10-18-6-3-7-20-26(18)33(28(36)27(20)35)15-16-8-9-17-4-1-2-5-19(17)12-16/h1-14,27,35H,15H2,(H,32,34)/b11-10+
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n/an/a>2.00E+4n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to human IP receptor by radioligand displacement assay


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315469
PNG
(3-(3-hydroxy-1-(naphthalen-2-ylmethyl)-2-oxoindoli...)
Show SMILES OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C28H19F3N2O5S/c29-21-13-23(31)24(14-22(21)30)39(37,38)32-25(34)11-10-18-6-3-7-20-26(18)33(28(36)27(20)35)15-16-8-9-17-4-1-2-5-19(17)12-16/h1-14,27,35H,15H2,(H,32,34)/b11-10+
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n/an/a 0.600n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50315469
PNG
(3-(3-hydroxy-1-(naphthalen-2-ylmethyl)-2-oxoindoli...)
Show SMILES OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C28H19F3N2O5S/c29-21-13-23(31)24(14-22(21)30)39(37,38)32-25(34)11-10-18-6-3-7-20-26(18)33(28(36)27(20)35)15-16-8-9-17-4-1-2-5-19(17)12-16/h1-14,27,35H,15H2,(H,32,34)/b11-10+
UniProtKB/SwissProt

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UniChem
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n/an/a>2.00E+4n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to human FP receptor by radioligand displacement assay


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair