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SMILES: CCc1cc(Oc2cc(F)cc(c2)[C@@H](C)NC(=O)c2sc3ccc(Cl)cc3c2C)ccc1CCC(O)=O

InChI Key: InChIKey=WQCJKMGDGUHOFD-QGZVFWFLSA-N

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 8 hits for monomerid = 50227754   
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 gamma


(Homo sapiens (Human))
BDBM50227754
PNG
((R)-3-(4-(3-(1-(5-chloro-3-methylbenzo[b]thiophene...)
Show SMILES CCc1cc(Oc2cc(F)cc(c2)[C@@H](C)NC(=O)c2sc3ccc(Cl)cc3c2C)ccc1CCC(O)=O
Show InChI InChI=1S/C29H27ClFNO4S/c1-4-18-12-23(8-5-19(18)6-10-27(33)34)36-24-13-20(11-22(31)15-24)17(3)32-29(35)28-16(2)25-14-21(30)7-9-26(25)37-28/h5,7-9,11-15,17H,4,6,10H2,1-3H3,(H,32,35)(H,33,34)/t17-/m1/s1
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n/an/a 50n/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 delta


(Homo sapiens (Human))
BDBM50227754
PNG
((R)-3-(4-(3-(1-(5-chloro-3-methylbenzo[b]thiophene...)
Show SMILES CCc1cc(Oc2cc(F)cc(c2)[C@@H](C)NC(=O)c2sc3ccc(Cl)cc3c2C)ccc1CCC(O)=O
Show InChI InChI=1S/C29H27ClFNO4S/c1-4-18-12-23(8-5-19(18)6-10-27(33)34)36-24-13-20(11-22(31)15-24)17(3)32-29(35)28-16(2)25-14-21(30)7-9-26(25)37-28/h5,7-9,11-15,17H,4,6,10H2,1-3H3,(H,32,35)(H,33,34)/t17-/m1/s1
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n/an/an/an/a 7n/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 gamma


(Homo sapiens (Human))
BDBM50227754
PNG
((R)-3-(4-(3-(1-(5-chloro-3-methylbenzo[b]thiophene...)
Show SMILES CCc1cc(Oc2cc(F)cc(c2)[C@@H](C)NC(=O)c2sc3ccc(Cl)cc3c2C)ccc1CCC(O)=O
Show InChI InChI=1S/C29H27ClFNO4S/c1-4-18-12-23(8-5-19(18)6-10-27(33)34)36-24-13-20(11-22(31)15-24)17(3)32-29(35)28-16(2)25-14-21(30)7-9-26(25)37-28/h5,7-9,11-15,17H,4,6,10H2,1-3H3,(H,32,35)(H,33,34)/t17-/m1/s1
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n/an/an/an/a 163n/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 gamma


(Homo sapiens (Human))
BDBM50227754
PNG
((R)-3-(4-(3-(1-(5-chloro-3-methylbenzo[b]thiophene...)
Show SMILES CCc1cc(Oc2cc(F)cc(c2)[C@@H](C)NC(=O)c2sc3ccc(Cl)cc3c2C)ccc1CCC(O)=O
Show InChI InChI=1S/C29H27ClFNO4S/c1-4-18-12-23(8-5-19(18)6-10-27(33)34)36-24-13-20(11-22(31)15-24)17(3)32-29(35)28-16(2)25-14-21(30)7-9-26(25)37-28/h5,7-9,11-15,17H,4,6,10H2,1-3H3,(H,32,35)(H,33,34)/t17-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50227754
PNG
((R)-3-(4-(3-(1-(5-chloro-3-methylbenzo[b]thiophene...)
Show SMILES CCc1cc(Oc2cc(F)cc(c2)[C@@H](C)NC(=O)c2sc3ccc(Cl)cc3c2C)ccc1CCC(O)=O
Show InChI InChI=1S/C29H27ClFNO4S/c1-4-18-12-23(8-5-19(18)6-10-27(33)34)36-24-13-20(11-22(31)15-24)17(3)32-29(35)28-16(2)25-14-21(30)7-9-26(25)37-28/h5,7-9,11-15,17H,4,6,10H2,1-3H3,(H,32,35)(H,33,34)/t17-/m1/s1
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n/an/a 9.34E+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 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
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50227754
PNG
((R)-3-(4-(3-(1-(5-chloro-3-methylbenzo[b]thiophene...)
Show SMILES CCc1cc(Oc2cc(F)cc(c2)[C@@H](C)NC(=O)c2sc3ccc(Cl)cc3c2C)ccc1CCC(O)=O
Show InChI InChI=1S/C29H27ClFNO4S/c1-4-18-12-23(8-5-19(18)6-10-27(33)34)36-24-13-20(11-22(31)15-24)17(3)32-29(35)28-16(2)25-14-21(30)7-9-26(25)37-28/h5,7-9,11-15,17H,4,6,10H2,1-3H3,(H,32,35)(H,33,34)/t17-/m1/s1
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n/an/a 9.33E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50227754
PNG
((R)-3-(4-(3-(1-(5-chloro-3-methylbenzo[b]thiophene...)
Show SMILES CCc1cc(Oc2cc(F)cc(c2)[C@@H](C)NC(=O)c2sc3ccc(Cl)cc3c2C)ccc1CCC(O)=O
Show InChI InChI=1S/C29H27ClFNO4S/c1-4-18-12-23(8-5-19(18)6-10-27(33)34)36-24-13-20(11-22(31)15-24)17(3)32-29(35)28-16(2)25-14-21(30)7-9-26(25)37-28/h5,7-9,11-15,17H,4,6,10H2,1-3H3,(H,32,35)(H,33,34)/t17-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50227754
PNG
((R)-3-(4-(3-(1-(5-chloro-3-methylbenzo[b]thiophene...)
Show SMILES CCc1cc(Oc2cc(F)cc(c2)[C@@H](C)NC(=O)c2sc3ccc(Cl)cc3c2C)ccc1CCC(O)=O
Show InChI InChI=1S/C29H27ClFNO4S/c1-4-18-12-23(8-5-19(18)6-10-27(33)34)36-24-13-20(11-22(31)15-24)17(3)32-29(35)28-16(2)25-14-21(30)7-9-26(25)37-28/h5,7-9,11-15,17H,4,6,10H2,1-3H3,(H,32,35)(H,33,34)/t17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5n/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