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BDBM50150966 CHEMBL182572::[1-(4-Butoxy-benzoyl)-2-methyl-1H-indol-3-yl]-acetic acid

SMILES: CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2ccccc12

InChI Key: InChIKey=UOSTZGUQPUPGOE-UHFFFAOYSA-N

Data: 10 KI  2 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 12 hits for monomerid = 50150966   
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
Prostanoid DP receptor


(Mus musculus)
BDBM50150966
PNG
(CHEMBL182572 | [1-(4-Butoxy-benzoyl)-2-methyl-1H-i...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H23NO4/c1-3-4-13-27-17-11-9-16(10-12-17)22(26)23-15(2)19(14-21(24)25)18-7-5-6-8-20(18)23/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)
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10n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for mouse Prostanoid DP receptor


Bioorg Med Chem Lett 14: 4557-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.006
BindingDB Entry DOI: 10.7270/Q2N29XPR
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Mus musculus)
BDBM50150966
PNG
(CHEMBL182572 | [1-(4-Butoxy-benzoyl)-2-methyl-1H-i...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H23NO4/c1-3-4-13-27-17-11-9-16(10-12-17)22(26)23-15(2)19(14-21(24)25)18-7-5-6-8-20(18)23/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)
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110n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for mouse Prostanoid DP receptor


Bioorg Med Chem Lett 14: 4557-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.006
BindingDB Entry DOI: 10.7270/Q2N29XPR
More data for this
Ligand-Target Pair
Prostanoid EP2 Receptor


(Mus musculus (Mouse))
BDBM50150966
PNG
(CHEMBL182572 | [1-(4-Butoxy-benzoyl)-2-methyl-1H-i...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H23NO4/c1-3-4-13-27-17-11-9-16(10-12-17)22(26)23-15(2)19(14-21(24)25)18-7-5-6-8-20(18)23/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)
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2.00E+3n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for mouse Prostanoid EP2 receptor


Bioorg Med Chem Lett 14: 4557-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.006
BindingDB Entry DOI: 10.7270/Q2N29XPR
More data for this
Ligand-Target Pair
Prostanoid EP2 Receptor


(Mus musculus (Mouse))
BDBM50150966
PNG
(CHEMBL182572 | [1-(4-Butoxy-benzoyl)-2-methyl-1H-i...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H23NO4/c1-3-4-13-27-17-11-9-16(10-12-17)22(26)23-15(2)19(14-21(24)25)18-7-5-6-8-20(18)23/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)
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2.10E+3n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for mouse Prostanoid EP2 receptor


Bioorg Med Chem Lett 14: 4557-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.006
BindingDB Entry DOI: 10.7270/Q2N29XPR
More data for this
Ligand-Target Pair
Prostanoid EP3 Receptor


(Mus musculus (Mouse))
BDBM50150966
PNG
(CHEMBL182572 | [1-(4-Butoxy-benzoyl)-2-methyl-1H-i...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H23NO4/c1-3-4-13-27-17-11-9-16(10-12-17)22(26)23-15(2)19(14-21(24)25)18-7-5-6-8-20(18)23/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)
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3.30E+3n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for mouse Prostanoid EP3 receptor


Bioorg Med Chem Lett 14: 4557-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.006
BindingDB Entry DOI: 10.7270/Q2N29XPR
More data for this
Ligand-Target Pair
Prostanoid EP1 Receptor


(Mus musculus (Mouse))
BDBM50150966
PNG
(CHEMBL182572 | [1-(4-Butoxy-benzoyl)-2-methyl-1H-i...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H23NO4/c1-3-4-13-27-17-11-9-16(10-12-17)22(26)23-15(2)19(14-21(24)25)18-7-5-6-8-20(18)23/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)
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5.20E+3n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for mouse Prostanoid EP1 receptor


Bioorg Med Chem Lett 14: 4557-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.006
BindingDB Entry DOI: 10.7270/Q2N29XPR
More data for this
Ligand-Target Pair
Prostanoid EP1 Receptor


(Mus musculus (Mouse))
BDBM50150966
PNG
(CHEMBL182572 | [1-(4-Butoxy-benzoyl)-2-methyl-1H-i...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H23NO4/c1-3-4-13-27-17-11-9-16(10-12-17)22(26)23-15(2)19(14-21(24)25)18-7-5-6-8-20(18)23/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for mouse Prostanoid EP1 receptor


Bioorg Med Chem Lett 14: 4557-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.006
BindingDB Entry DOI: 10.7270/Q2N29XPR
More data for this
Ligand-Target Pair
Prostanoid EP3 Receptor


(Mus musculus (Mouse))
BDBM50150966
PNG
(CHEMBL182572 | [1-(4-Butoxy-benzoyl)-2-methyl-1H-i...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H23NO4/c1-3-4-13-27-17-11-9-16(10-12-17)22(26)23-15(2)19(14-21(24)25)18-7-5-6-8-20(18)23/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)
UniProtKB/SwissProt

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>1.00E+4n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for mouse Prostanoid EP3 receptor


Bioorg Med Chem Lett 14: 4557-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.006
BindingDB Entry DOI: 10.7270/Q2N29XPR
More data for this
Ligand-Target Pair
Prostanoid EP4 Receptor


(Mus musculus (Mouse))
BDBM50150966
PNG
(CHEMBL182572 | [1-(4-Butoxy-benzoyl)-2-methyl-1H-i...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H23NO4/c1-3-4-13-27-17-11-9-16(10-12-17)22(26)23-15(2)19(14-21(24)25)18-7-5-6-8-20(18)23/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for mouse Prostanoid EP4 receptor


Bioorg Med Chem Lett 14: 4557-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.006
BindingDB Entry DOI: 10.7270/Q2N29XPR
More data for this
Ligand-Target Pair
Prostanoid EP4 Receptor


(Mus musculus (Mouse))
BDBM50150966
PNG
(CHEMBL182572 | [1-(4-Butoxy-benzoyl)-2-methyl-1H-i...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H23NO4/c1-3-4-13-27-17-11-9-16(10-12-17)22(26)23-15(2)19(14-21(24)25)18-7-5-6-8-20(18)23/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for mouse Prostanoid EP4 receptor


Bioorg Med Chem Lett 14: 4557-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.006
BindingDB Entry DOI: 10.7270/Q2N29XPR
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Mus musculus)
BDBM50150966
PNG
(CHEMBL182572 | [1-(4-Butoxy-benzoyl)-2-methyl-1H-i...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H23NO4/c1-3-4-13-27-17-11-9-16(10-12-17)22(26)23-15(2)19(14-21(24)25)18-7-5-6-8-20(18)23/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse Prostanoid DP receptor


Bioorg Med Chem Lett 14: 4557-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.006
BindingDB Entry DOI: 10.7270/Q2N29XPR
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Mus musculus)
BDBM50150966
PNG
(CHEMBL182572 | [1-(4-Butoxy-benzoyl)-2-methyl-1H-i...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C22H23NO4/c1-3-4-13-27-17-11-9-16(10-12-17)22(26)23-15(2)19(14-21(24)25)18-7-5-6-8-20(18)23/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)
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n/an/a 300n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse Prostanoid DP receptor


Bioorg Med Chem Lett 14: 4557-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.006
BindingDB Entry DOI: 10.7270/Q2N29XPR
More data for this
Ligand-Target Pair