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BDBM50150971 1-(4-Butoxy-benzoyl)-5-methoxy-1H-indole-3-carboxylic acid::CHEMBL185087

SMILES: CCCCOc1ccc(cc1)C(=O)n1cc(C(O)=O)c2cc(OC)ccc12

InChI Key: InChIKey=QUCIHCZTHDGJSY-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50150971   
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)
BDBM50150971
PNG
(1-(4-Butoxy-benzoyl)-5-methoxy-1H-indole-3-carboxy...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1cc(C(O)=O)c2cc(OC)ccc12
Show InChI InChI=1S/C21H21NO5/c1-3-4-11-27-15-7-5-14(6-8-15)20(23)22-13-18(21(24)25)17-12-16(26-2)9-10-19(17)22/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25)
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PC sid
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Article
PubMed
2.20E+3n/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))
BDBM50150971
PNG
(1-(4-Butoxy-benzoyl)-5-methoxy-1H-indole-3-carboxy...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1cc(C(O)=O)c2cc(OC)ccc12
Show InChI InChI=1S/C21H21NO5/c1-3-4-11-27-15-7-5-14(6-8-15)20(23)22-13-18(21(24)25)17-12-16(26-2)9-10-19(17)22/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25)
PDB

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Article
PubMed
8.90E+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))
BDBM50150971
PNG
(1-(4-Butoxy-benzoyl)-5-methoxy-1H-indole-3-carboxy...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1cc(C(O)=O)c2cc(OC)ccc12
Show InChI InChI=1S/C21H21NO5/c1-3-4-11-27-15-7-5-14(6-8-15)20(23)22-13-18(21(24)25)17-12-16(26-2)9-10-19(17)22/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25)
UniProtKB/SwissProt

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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 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))
BDBM50150971
PNG
(1-(4-Butoxy-benzoyl)-5-methoxy-1H-indole-3-carboxy...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1cc(C(O)=O)c2cc(OC)ccc12
Show InChI InChI=1S/C21H21NO5/c1-3-4-11-27-15-7-5-14(6-8-15)20(23)22-13-18(21(24)25)17-12-16(26-2)9-10-19(17)22/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25)
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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 EP4 Receptor


(Mus musculus (Mouse))
BDBM50150971
PNG
(1-(4-Butoxy-benzoyl)-5-methoxy-1H-indole-3-carboxy...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1cc(C(O)=O)c2cc(OC)ccc12
Show InChI InChI=1S/C21H21NO5/c1-3-4-11-27-15-7-5-14(6-8-15)20(23)22-13-18(21(24)25)17-12-16(26-2)9-10-19(17)22/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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 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