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BDBM50169251 (S)-(4-Isopropyl-phenyl)-(2-methyl-3-oxo-5,7-dipropyl-2,3-dihydro-benzo[d]isoxazol-6-yloxy)-acetic acid::CHEMBL191149

SMILES: CCCc1cc2c(on(C)c2=O)c(CCC)c1O[C@H](C(O)=O)c1ccc(cc1)C(C)C

InChI Key: InChIKey=RYNHNIDEKCRWHJ-QFIPXVFZSA-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 = 50169251   
Target
(Institution)
LigandTarget
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))
BDBM50169251
PNG
((S)-(4-Isopropyl-phenyl)-(2-methyl-3-oxo-5,7-dipro...)
Show SMILES CCCc1cc2c(on(C)c2=O)c(CCC)c1O[C@H](C(O)=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C25H31NO5/c1-6-8-18-14-20-23(31-26(5)24(20)27)19(9-7-2)21(18)30-22(25(28)29)17-12-10-16(11-13-17)15(3)4/h10-15,22H,6-9H2,1-5H3,(H,28,29)/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
MMDB
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human PPAR gamma


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


(Homo sapiens (human))
BDBM50169251
PNG
((S)-(4-Isopropyl-phenyl)-(2-methyl-3-oxo-5,7-dipro...)
Show SMILES CCCc1cc2c(on(C)c2=O)c(CCC)c1O[C@H](C(O)=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C25H31NO5/c1-6-8-18-14-20-23(31-26(5)24(20)27)19(9-7-2)21(18)30-22(25(28)29)17-12-10-16(11-13-17)15(3)4/h10-15,22H,6-9H2,1-5H3,(H,28,29)/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
MMDB
Article
PubMed
n/an/an/an/a 390n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist response against human PPAR gamma in transactivation assay


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


(Homo sapiens (Human))
BDBM50169251
PNG
((S)-(4-Isopropyl-phenyl)-(2-methyl-3-oxo-5,7-dipro...)
Show SMILES CCCc1cc2c(on(C)c2=O)c(CCC)c1O[C@H](C(O)=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C25H31NO5/c1-6-8-18-14-20-23(31-26(5)24(20)27)19(9-7-2)21(18)30-22(25(28)29)17-12-10-16(11-13-17)15(3)4/h10-15,22H,6-9H2,1-5H3,(H,28,29)/t22-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 670n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist response against human PPAR alpha in transactivation assay


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


(Homo sapiens (Human))
BDBM50169251
PNG
((S)-(4-Isopropyl-phenyl)-(2-methyl-3-oxo-5,7-dipro...)
Show SMILES CCCc1cc2c(on(C)c2=O)c(CCC)c1O[C@H](C(O)=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C25H31NO5/c1-6-8-18-14-20-23(31-26(5)24(20)27)19(9-7-2)21(18)30-22(25(28)29)17-12-10-16(11-13-17)15(3)4/h10-15,22H,6-9H2,1-5H3,(H,28,29)/t22-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human PPAR alpha


Citation and Details
More data for this
Ligand-Target Pair