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BDBM50144890 CHEMBL3764216

SMILES: CCC(Cc1ccc(cc1)C(=O)NCc1ccc(F)cc1C(F)(F)F)C(O)=O

InChI Key: InChIKey=YXMOEHIXSLPFBY-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50144890   
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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50144890
PNG
(CHEMBL3764216)
Show SMILES CCC(Cc1ccc(cc1)C(=O)NCc1ccc(F)cc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H19F4NO3/c1-2-13(19(27)28)9-12-3-5-14(6-4-12)18(26)25-11-15-7-8-16(21)10-17(15)20(22,23)24/h3-8,10,13H,2,9,11H2,1H3,(H,25,26)(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50144890
PNG
(CHEMBL3764216)
Show SMILES CCC(Cc1ccc(cc1)C(=O)NCc1ccc(F)cc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C20H19F4NO3/c1-2-13(19(27)28)9-12-3-5-14(6-4-12)18(26)25-11-15-7-8-16(21)10-17(15)20(22,23)24/h3-8,10,13H,2,9,11H2,1H3,(H,25,26)(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 600n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Transactivation of human PPARgamma expressed in African green monkey COS7 cells incubated overnight by dual-glo luciferase reporter gene assay


J Med Chem 59: 61-81 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01239
BindingDB Entry DOI: 10.7270/Q2348N8D
More data for this
Ligand-Target Pair