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BDBM50132472 (S)-2-{3-[4-(4-Fluoro-phenoxy)-benzylcarbamoyl]-4-methoxy-benzyl}-butyric acid::CHEMBL318351

SMILES: CC[C@@H](Cc1ccc(OC)c(c1)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)C(O)=O

InChI Key: InChIKey=VRHOBXXCNBZJRX-IBGZPJMESA-N

Data: 6 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 = 50132472   
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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50132472
PNG
((S)-2-{3-[4-(4-Fluoro-phenoxy)-benzylcarbamoyl]-4-...)
Show SMILES CC[C@@H](Cc1ccc(OC)c(c1)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)C(O)=O
Show InChI InChI=1S/C26H26FNO5/c1-3-19(26(30)31)14-18-6-13-24(32-2)23(15-18)25(29)28-16-17-4-9-21(10-5-17)33-22-11-7-20(27)8-12-22/h4-13,15,19H,3,14,16H2,1-2H3,(H,28,29)(H,30,31)/t19-/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 14n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Transcriptional activation activity on human T279M-mutant Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50132472
PNG
((S)-2-{3-[4-(4-Fluoro-phenoxy)-benzylcarbamoyl]-4-...)
Show SMILES CC[C@@H](Cc1ccc(OC)c(c1)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)C(O)=O
Show InChI InChI=1S/C26H26FNO5/c1-3-19(26(30)31)14-18-6-13-24(32-2)23(15-18)25(29)28-16-17-4-9-21(10-5-17)33-22-11-7-20(27)8-12-22/h4-13,15,19H,3,14,16H2,1-2H3,(H,28,29)(H,30,31)/t19-/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


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PubMed
n/an/an/an/a 0.615n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Transcriptional activation activity on human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50132472
PNG
((S)-2-{3-[4-(4-Fluoro-phenoxy)-benzylcarbamoyl]-4-...)
Show SMILES CC[C@@H](Cc1ccc(OC)c(c1)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)C(O)=O
Show InChI InChI=1S/C26H26FNO5/c1-3-19(26(30)31)14-18-6-13-24(32-2)23(15-18)25(29)28-16-17-4-9-21(10-5-17)33-22-11-7-20(27)8-12-22/h4-13,15,19H,3,14,16H2,1-2H3,(H,28,29)(H,30,31)/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 13n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha expressed in CHO-K1 cells


Bioorg Med Chem Lett 22: 334-8 (2011)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50132472
PNG
((S)-2-{3-[4-(4-Fluoro-phenoxy)-benzylcarbamoyl]-4-...)
Show SMILES CC[C@@H](Cc1ccc(OC)c(c1)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)C(O)=O
Show InChI InChI=1S/C26H26FNO5/c1-3-19(26(30)31)14-18-6-13-24(32-2)23(15-18)25(29)28-16-17-4-9-21(10-5-17)33-22-11-7-20(27)8-12-22/h4-13,15,19H,3,14,16H2,1-2H3,(H,28,29)(H,30,31)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 2.50E+3n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Transactivation of human PPARgamma expressed in CHO-K1 cells


Bioorg Med Chem Lett 22: 334-8 (2011)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50132472
PNG
((S)-2-{3-[4-(4-Fluoro-phenoxy)-benzylcarbamoyl]-4-...)
Show SMILES CC[C@@H](Cc1ccc(OC)c(c1)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)C(O)=O
Show InChI InChI=1S/C26H26FNO5/c1-3-19(26(30)31)14-18-6-13-24(32-2)23(15-18)25(29)28-16-17-4-9-21(10-5-17)33-22-11-7-20(27)8-12-22/h4-13,15,19H,3,14,16H2,1-2H3,(H,28,29)(H,30,31)/t19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.92E+3n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Transactivation of human PPARdelta expressed in CHO-K1 cells


Bioorg Med Chem Lett 22: 334-8 (2011)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50132472
PNG
((S)-2-{3-[4-(4-Fluoro-phenoxy)-benzylcarbamoyl]-4-...)
Show SMILES CC[C@@H](Cc1ccc(OC)c(c1)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)C(O)=O
Show InChI InChI=1S/C26H26FNO5/c1-3-19(26(30)31)14-18-6-13-24(32-2)23(15-18)25(29)28-16-17-4-9-21(10-5-17)33-22-11-7-20(27)8-12-22/h4-13,15,19H,3,14,16H2,1-2H3,(H,28,29)(H,30,31)/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 667n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Transcriptional activation activity on human I272F-mutant Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells


Citation and Details
More data for this
Ligand-Target Pair