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BDBM50227758 3-(4-(3-((5-chloro-1-methyl-1H-indole-2-carboxamido)methyl)phenoxy)-2-methylphenyl)propanoic acid::CHEMBL399417

SMILES: Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4n3C)c2)ccc1CCC(O)=O

InChI Key: InChIKey=LCOLZKUTZKYABX-UHFFFAOYSA-N

Data: 3 IC50  3 EC50

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 = 50227758   
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
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50227758
PNG
(3-(4-(3-((5-chloro-1-methyl-1H-indole-2-carboxamid...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4n3C)c2)ccc1CCC(O)=O
Show InChI InChI=1S/C27H25ClN2O4/c1-17-12-23(9-6-19(17)7-11-26(31)32)34-22-5-3-4-18(13-22)16-29-27(33)25-15-20-14-21(28)8-10-24(20)30(25)2/h3-6,8-10,12-15H,7,11,16H2,1-2H3,(H,29,33)(H,31,32)
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Article
PubMed
n/an/an/an/a 135n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in CV1 cells by receptor transactivation assay


Bioorg Med Chem Lett 17: 6744-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.047
BindingDB Entry DOI: 10.7270/Q2VT1RTW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50227758
PNG
(3-(4-(3-((5-chloro-1-methyl-1H-indole-2-carboxamid...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4n3C)c2)ccc1CCC(O)=O
Show InChI InChI=1S/C27H25ClN2O4/c1-17-12-23(9-6-19(17)7-11-26(31)32)34-22-5-3-4-18(13-22)16-29-27(33)25-15-20-14-21(28)8-10-24(20)30(25)2/h3-6,8-10,12-15H,7,11,16H2,1-2H3,(H,29,33)(H,31,32)
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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 87n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta expressed in CV1 cells by receptor transactivation assay


Bioorg Med Chem Lett 17: 6744-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.047
BindingDB Entry DOI: 10.7270/Q2VT1RTW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50227758
PNG
(3-(4-(3-((5-chloro-1-methyl-1H-indole-2-carboxamid...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4n3C)c2)ccc1CCC(O)=O
Show InChI InChI=1S/C27H25ClN2O4/c1-17-12-23(9-6-19(17)7-11-26(31)32)34-22-5-3-4-18(13-22)16-29-27(33)25-15-20-14-21(28)8-10-24(20)30(25)2/h3-6,8-10,12-15H,7,11,16H2,1-2H3,(H,29,33)(H,31,32)
PDB

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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 6744-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.047
BindingDB Entry DOI: 10.7270/Q2VT1RTW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50227758
PNG
(3-(4-(3-((5-chloro-1-methyl-1H-indole-2-carboxamid...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4n3C)c2)ccc1CCC(O)=O
Show InChI InChI=1S/C27H25ClN2O4/c1-17-12-23(9-6-19(17)7-11-26(31)32)34-22-5-3-4-18(13-22)16-29-27(33)25-15-20-14-21(28)8-10-24(20)30(25)2/h3-6,8-10,12-15H,7,11,16H2,1-2H3,(H,29,33)(H,31,32)
PDB

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Article
PubMed
n/an/an/an/a 2.74E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in CV1 cells by receptor transactivation assay


Bioorg Med Chem Lett 17: 6744-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.047
BindingDB Entry DOI: 10.7270/Q2VT1RTW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50227758
PNG
(3-(4-(3-((5-chloro-1-methyl-1H-indole-2-carboxamid...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4n3C)c2)ccc1CCC(O)=O
Show InChI InChI=1S/C27H25ClN2O4/c1-17-12-23(9-6-19(17)7-11-26(31)32)34-22-5-3-4-18(13-22)16-29-27(33)25-15-20-14-21(28)8-10-24(20)30(25)2/h3-6,8-10,12-15H,7,11,16H2,1-2H3,(H,29,33)(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 98n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-2-(4-{3-{propyl-(5-pyridin-2-yl-thiophene-2-sulfonyl)-amino}-propyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 17: 6744-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.047
BindingDB Entry DOI: 10.7270/Q2VT1RTW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50227758
PNG
(3-(4-(3-((5-chloro-1-methyl-1H-indole-2-carboxamid...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4n3C)c2)ccc1CCC(O)=O
Show InChI InChI=1S/C27H25ClN2O4/c1-17-12-23(9-6-19(17)7-11-26(31)32)34-22-5-3-4-18(13-22)16-29-27(33)25-15-20-14-21(28)8-10-24(20)30(25)2/h3-6,8-10,12-15H,7,11,16H2,1-2H3,(H,29,33)(H,31,32)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARalpha


Bioorg Med Chem Lett 17: 6744-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.047
BindingDB Entry DOI: 10.7270/Q2VT1RTW
More data for this
Ligand-Target Pair