BindingDB logo
myBDB logout

null

SMILES: COc1ccc(cc1)C(C(=O)NC(C)(C)C)n1c2ccccc2nc(-c2ccco2)c1=O

InChI Key: InChIKey=HOIGTZQLSILTKW-UHFFFAOYSA-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 3 hits for monomerid = 94558   
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
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
BDBM94558
PNG
(MLS003674213 | N-tert-butyl-2-[3-(2-furanyl)-2-oxo...)
Show SMILES COc1ccc(cc1)C(C(=O)NC(C)(C)C)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C25H25N3O4/c1-25(2,3)27-23(29)22(16-11-13-17(31-4)14-12-16)28-19-9-6-5-8-18(19)26-21(24(28)30)20-10-7-15-32-20/h5-15,22H,1-4H3,(H,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/a 1.78E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2736PH3
More data for this
Ligand-Target Pair
Perilipin-5


(Homo sapiens (Human))
BDBM94558
PNG
(MLS003674213 | N-tert-butyl-2-[3-(2-furanyl)-2-oxo...)
Show SMILES COc1ccc(cc1)C(C(=O)NC(C)(C)C)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C25H25N3O4/c1-25(2,3)27-23(29)22(16-11-13-17(31-4)14-12-16)28-19-9-6-5-8-18(19)26-21(24(28)30)20-10-7-15-32-20/h5-15,22H,1-4H3,(H,27,29)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.69E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24B2ZW9
More data for this
Ligand-Target Pair
Perilipin-1


(Homo sapiens (Human))
BDBM94558
PNG
(MLS003674213 | N-tert-butyl-2-[3-(2-furanyl)-2-oxo...)
Show SMILES COc1ccc(cc1)C(C(=O)NC(C)(C)C)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C25H25N3O4/c1-25(2,3)27-23(29)22(16-11-13-17(31-4)14-12-16)28-19-9-6-5-8-18(19)26-21(24(28)30)20-10-7-15-32-20/h5-15,22H,1-4H3,(H,27,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.82E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2CV4GBF
More data for this
Ligand-Target Pair