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BDBM50315467 CHEMBL1093791::N-(4-fluorophenylsulfonyl)-3-(3-hydroxy-1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)acrylamide

SMILES: OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=OIROWBUFUBBAGU-XNTDXEJSSA-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 = 50315467   
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))
BDBM50315467
PNG
(CHEMBL1093791 | N-(4-fluorophenylsulfonyl)-3-(3-hy...)
Show SMILES OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H21FN2O5S/c29-22-11-13-23(14-12-22)37(35,36)30-25(32)15-10-20-6-3-7-24-26(20)31(28(34)27(24)33)17-18-8-9-19-4-1-2-5-21(19)16-18/h1-16,27,33H,17H2,(H,30,32)/b15-10+
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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))
BDBM50315467
PNG
(CHEMBL1093791 | N-(4-fluorophenylsulfonyl)-3-(3-hy...)
Show SMILES OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H21FN2O5S/c29-22-11-13-23(14-12-22)37(35,36)30-25(32)15-10-20-6-3-7-24-26(20)31(28(34)27(24)33)17-18-8-9-19-4-1-2-5-21(19)16-18/h1-16,27,33H,17H2,(H,30,32)/b15-10+
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n/an/a 1.51E+4n/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))
BDBM50315467
PNG
(CHEMBL1093791 | N-(4-fluorophenylsulfonyl)-3-(3-hy...)
Show SMILES OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H21FN2O5S/c29-22-11-13-23(14-12-22)37(35,36)30-25(32)15-10-20-6-3-7-24-26(20)31(28(34)27(24)33)17-18-8-9-19-4-1-2-5-21(19)16-18/h1-16,27,33H,17H2,(H,30,32)/b15-10+
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n/an/a 19.4n/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))
BDBM50315467
PNG
(CHEMBL1093791 | N-(4-fluorophenylsulfonyl)-3-(3-hy...)
Show SMILES OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H21FN2O5S/c29-22-11-13-23(14-12-22)37(35,36)30-25(32)15-10-20-6-3-7-24-26(20)31(28(34)27(24)33)17-18-8-9-19-4-1-2-5-21(19)16-18/h1-16,27,33H,17H2,(H,30,32)/b15-10+
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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))
BDBM50315467
PNG
(CHEMBL1093791 | N-(4-fluorophenylsulfonyl)-3-(3-hy...)
Show SMILES OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H21FN2O5S/c29-22-11-13-23(14-12-22)37(35,36)30-25(32)15-10-20-6-3-7-24-26(20)31(28(34)27(24)33)17-18-8-9-19-4-1-2-5-21(19)16-18/h1-16,27,33H,17H2,(H,30,32)/b15-10+
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n/an/a 0.900n/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))
BDBM50315467
PNG
(CHEMBL1093791 | N-(4-fluorophenylsulfonyl)-3-(3-hy...)
Show SMILES OC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H21FN2O5S/c29-22-11-13-23(14-12-22)37(35,36)30-25(32)15-10-20-6-3-7-24-26(20)31(28(34)27(24)33)17-18-8-9-19-4-1-2-5-21(19)16-18/h1-16,27,33H,17H2,(H,30,32)/b15-10+
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