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SMILES: CCC1(C)NC(CC(=N1)c1ccc2OCOc2c1)c1ccccc1O

InChI Key: InChIKey=WZZIWDXHFLCAFY-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 = 94633   
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))
BDBM94633
PNG
(2-[4-(1,3-benzodioxol-5-yl)-2-ethyl-2-methyl-5,6-d...)
Show SMILES CCC1(C)NC(CC(=N1)c1ccc2OCOc2c1)c1ccccc1O |c:7|
Show InChI InChI=1S/C20H22N2O3/c1-3-20(2)21-15(13-8-9-18-19(10-13)25-12-24-18)11-16(22-20)14-6-4-5-7-17(14)23/h4-10,16,22-23H,3,11-12H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.87E+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))
BDBM94633
PNG
(2-[4-(1,3-benzodioxol-5-yl)-2-ethyl-2-methyl-5,6-d...)
Show SMILES CCC1(C)NC(CC(=N1)c1ccc2OCOc2c1)c1ccccc1O |c:7|
Show InChI InChI=1S/C20H22N2O3/c1-3-20(2)21-15(13-8-9-18-19(10-13)25-12-24-18)11-16(22-20)14-6-4-5-7-17(14)23/h4-10,16,22-23H,3,11-12H2,1-2H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.57E+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))
BDBM94633
PNG
(2-[4-(1,3-benzodioxol-5-yl)-2-ethyl-2-methyl-5,6-d...)
Show SMILES CCC1(C)NC(CC(=N1)c1ccc2OCOc2c1)c1ccccc1O |c:7|
Show InChI InChI=1S/C20H22N2O3/c1-3-20(2)21-15(13-8-9-18-19(10-13)25-12-24-18)11-16(22-20)14-6-4-5-7-17(14)23/h4-10,16,22-23H,3,11-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.06E+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