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BDBM50150974 3-[1-(4-Butoxy-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-propionic acid::CHEMBL425167

SMILES: CCCCOc1ccc(cc1)C(=O)n1c(C)c(CCC(O)=O)c2cc(OC)ccc12

InChI Key: InChIKey=UXCQDNMQHAPVFF-UHFFFAOYSA-N

Data: 5 KI  1 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 = 50150974   
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)
BDBM50150974
PNG
(3-[1-(4-Butoxy-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CCC(O)=O)c2cc(OC)ccc12
Show InChI InChI=1S/C24H27NO5/c1-4-5-14-30-18-8-6-17(7-9-18)24(28)25-16(2)20(11-13-23(26)27)21-15-19(29-3)10-12-22(21)25/h6-10,12,15H,4-5,11,13-14H2,1-3H3,(H,26,27)
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PC sid
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Article
PubMed
280n/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 EP4 Receptor


(Mus musculus (Mouse))
BDBM50150974
PNG
(3-[1-(4-Butoxy-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CCC(O)=O)c2cc(OC)ccc12
Show InChI InChI=1S/C24H27NO5/c1-4-5-14-30-18-8-6-17(7-9-18)24(28)25-16(2)20(11-13-23(26)27)21-15-19(29-3)10-12-22(21)25/h6-10,12,15H,4-5,11,13-14H2,1-3H3,(H,26,27)
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Article
PubMed
3.00E+3n/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 EP2 Receptor


(Mus musculus (Mouse))
BDBM50150974
PNG
(3-[1-(4-Butoxy-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CCC(O)=O)c2cc(OC)ccc12
Show InChI InChI=1S/C24H27NO5/c1-4-5-14-30-18-8-6-17(7-9-18)24(28)25-16(2)20(11-13-23(26)27)21-15-19(29-3)10-12-22(21)25/h6-10,12,15H,4-5,11,13-14H2,1-3H3,(H,26,27)
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PubMed
5.70E+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))
BDBM50150974
PNG
(3-[1-(4-Butoxy-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CCC(O)=O)c2cc(OC)ccc12
Show InChI InChI=1S/C24H27NO5/c1-4-5-14-30-18-8-6-17(7-9-18)24(28)25-16(2)20(11-13-23(26)27)21-15-19(29-3)10-12-22(21)25/h6-10,12,15H,4-5,11,13-14H2,1-3H3,(H,26,27)
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PubMed
>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 EP1 Receptor


(Mus musculus (Mouse))
BDBM50150974
PNG
(3-[1-(4-Butoxy-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CCC(O)=O)c2cc(OC)ccc12
Show InChI InChI=1S/C24H27NO5/c1-4-5-14-30-18-8-6-17(7-9-18)24(28)25-16(2)20(11-13-23(26)27)21-15-19(29-3)10-12-22(21)25/h6-10,12,15H,4-5,11,13-14H2,1-3H3,(H,26,27)
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PC sid
UniChem

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Article
PubMed
>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 DP receptor


(Mus musculus)
BDBM50150974
PNG
(3-[1-(4-Butoxy-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CCC(O)=O)c2cc(OC)ccc12
Show InChI InChI=1S/C24H27NO5/c1-4-5-14-30-18-8-6-17(7-9-18)24(28)25-16(2)20(11-13-23(26)27)21-15-19(29-3)10-12-22(21)25/h6-10,12,15H,4-5,11,13-14H2,1-3H3,(H,26,27)
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Article
PubMed
n/an/a 1.50E+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