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BDBM95474 MLS000047465::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]-1-piperazinyl]acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[2-keto-2-(o-anisidino)ethyl]piperazino]acetamide::SMR000033476::cid_3245185

SMILES: COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc3OCCOc3c2)CC1

InChI Key: InChIKey=CKWXMLBTPQEDBB-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 = 95474   
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...)
BDBM95474
PNG
(MLS000047465 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C23H28N4O5/c1-30-19-5-3-2-4-18(19)25-23(29)16-27-10-8-26(9-11-27)15-22(28)24-17-6-7-20-21(14-17)32-13-12-31-20/h2-7,14H,8-13,15-16H2,1H3,(H,24,28)(H,25,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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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))
BDBM95474
PNG
(MLS000047465 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc3OCCOc3c2)CC1
Show InChI InChI=1S/C23H28N4O5/c1-30-19-5-3-2-4-18(19)25-23(29)16-27-10-8-26(9-11-27)15-22(28)24-17-6-7-20-21(14-17)32-13-12-31-20/h2-7,14H,8-13,15-16H2,1H3,(H,24,28)(H,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.02E+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