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BDBM95485 3-[2-(4-ethoxyphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)hydantoin::3-[2-(4-ethoxyphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione::MLS000564292::SMR000151824::cid_4279549

SMILES: CCOc1ccc(OCCN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1

InChI Key: InChIKey=OWSVDPNYFUDPLT-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 95485   
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
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM95485
PNG
(3-[2-(4-ethoxyphenoxy)ethyl]-5-(1H-indol-3-ylmethy...)
Show SMILES CCOc1ccc(OCCN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1
Show InChI InChI=1S/C22H23N3O4/c1-2-28-16-7-9-17(10-8-16)29-12-11-25-21(26)20(24-22(25)27)13-15-14-23-19-6-4-3-5-18(15)19/h3-10,14,20,23H,2,11-13H2,1H3,(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95485
PNG
(3-[2-(4-ethoxyphenoxy)ethyl]-5-(1H-indol-3-ylmethy...)
Show SMILES CCOc1ccc(OCCN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1
Show InChI InChI=1S/C22H23N3O4/c1-2-28-16-7-9-17(10-8-16)29-12-11-25-21(26)20(24-22(25)27)13-15-14-23-19-6-4-3-5-18(15)19/h3-10,14,20,23H,2,11-13H2,1H3,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.18E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair