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BDBM50314827 2-((3-((2-(biphenyl-4-yl)-5-methyloxazol-4-yl)methoxy)benzyl)(ptolyloxycarbonyl)amino)acetic acid::CHEMBL1089969

SMILES: Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=MKYKWIGWLDLXHQ-UHFFFAOYSA-N

Data: 2 IC50  2 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 4 hits for monomerid = 50314827   
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))
BDBM50314827
PNG
(2-((3-((2-(biphenyl-4-yl)-5-methyloxazol-4-yl)meth...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O6/c1-23-11-17-29(18-12-23)42-34(39)36(21-32(37)38)20-25-7-6-10-30(19-25)40-22-31-24(2)41-33(35-31)28-15-13-27(14-16-28)26-8-4-3-5-9-26/h3-19H,20-22H2,1-2H3,(H,37,38)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 340n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha LBD (167-468) expressed in HEK293 cells coexpressing GAL4-DBD by transactivation assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50314827
PNG
(2-((3-((2-(biphenyl-4-yl)-5-methyloxazol-4-yl)meth...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O6/c1-23-11-17-29(18-12-23)42-34(39)36(21-32(37)38)20-25-7-6-10-30(19-25)40-22-31-24(2)41-33(35-31)28-15-13-27(14-16-28)26-8-4-3-5-9-26/h3-19H,20-22H2,1-2H3,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 398n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma LBD (176-477) expressed in HEK293 cells coexpressing GAL4-DBD by transactivation assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50314827
PNG
(2-((3-((2-(biphenyl-4-yl)-5-methyloxazol-4-yl)meth...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O6/c1-23-11-17-29(18-12-23)42-34(39)36(21-32(37)38)20-25-7-6-10-30(19-25)40-22-31-24(2)41-33(35-31)28-15-13-27(14-16-28)26-8-4-3-5-9-26/h3-19H,20-22H2,1-2H3,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.99E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50314827
PNG
(2-((3-((2-(biphenyl-4-yl)-5-methyloxazol-4-yl)meth...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O6/c1-23-11-17-29(18-12-23)42-34(39)36(21-32(37)38)20-25-7-6-10-30(19-25)40-22-31-24(2)41-33(35-31)28-15-13-27(14-16-28)26-8-4-3-5-9-26/h3-19H,20-22H2,1-2H3,(H,37,38)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.89E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair