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BDBM50150970 CHEMBL183983::[1-(4-Butoxy-benzoyl)-5-hydroxy-2-methyl-1H-indol-3-yl]-acetic acid

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

InChI Key: InChIKey=MKBSAFKTKFOPHL-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 = 50150970   
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)
BDBM50150970
PNG
(CHEMBL183983 | [1-(4-Butoxy-benzoyl)-5-hydroxy-2-m...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2cc(O)ccc12
Show InChI InChI=1S/C22H23NO5/c1-3-4-11-28-17-8-5-15(6-9-17)22(27)23-14(2)18(13-21(25)26)19-12-16(24)7-10-20(19)23/h5-10,12,24H,3-4,11,13H2,1-2H3,(H,25,26)
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Article
PubMed
1.90E+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))
BDBM50150970
PNG
(CHEMBL183983 | [1-(4-Butoxy-benzoyl)-5-hydroxy-2-m...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2cc(O)ccc12
Show InChI InChI=1S/C22H23NO5/c1-3-4-11-28-17-8-5-15(6-9-17)22(27)23-14(2)18(13-21(25)26)19-12-16(24)7-10-20(19)23/h5-10,12,24H,3-4,11,13H2,1-2H3,(H,25,26)
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PubMed
3.30E+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 EP1 Receptor


(Mus musculus (Mouse))
BDBM50150970
PNG
(CHEMBL183983 | [1-(4-Butoxy-benzoyl)-5-hydroxy-2-m...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2cc(O)ccc12
Show InChI InChI=1S/C22H23NO5/c1-3-4-11-28-17-8-5-15(6-9-17)22(27)23-14(2)18(13-21(25)26)19-12-16(24)7-10-20(19)23/h5-10,12,24H,3-4,11,13H2,1-2H3,(H,25,26)
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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 EP4 Receptor


(Mus musculus (Mouse))
BDBM50150970
PNG
(CHEMBL183983 | [1-(4-Butoxy-benzoyl)-5-hydroxy-2-m...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2cc(O)ccc12
Show InChI InChI=1S/C22H23NO5/c1-3-4-11-28-17-8-5-15(6-9-17)22(27)23-14(2)18(13-21(25)26)19-12-16(24)7-10-20(19)23/h5-10,12,24H,3-4,11,13H2,1-2H3,(H,25,26)
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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 EP3 Receptor


(Mus musculus (Mouse))
BDBM50150970
PNG
(CHEMBL183983 | [1-(4-Butoxy-benzoyl)-5-hydroxy-2-m...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2cc(O)ccc12
Show InChI InChI=1S/C22H23NO5/c1-3-4-11-28-17-8-5-15(6-9-17)22(27)23-14(2)18(13-21(25)26)19-12-16(24)7-10-20(19)23/h5-10,12,24H,3-4,11,13H2,1-2H3,(H,25,26)
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 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 DP receptor


(Mus musculus)
BDBM50150970
PNG
(CHEMBL183983 | [1-(4-Butoxy-benzoyl)-5-hydroxy-2-m...)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1c(C)c(CC(O)=O)c2cc(O)ccc12
Show InChI InChI=1S/C22H23NO5/c1-3-4-11-28-17-8-5-15(6-9-17)22(27)23-14(2)18(13-21(25)26)19-12-16(24)7-10-20(19)23/h5-10,12,24H,3-4,11,13H2,1-2H3,(H,25,26)
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Article
PubMed
n/an/a>1.00E+4n/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