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BDBM95489 2-[4-(2-Methoxy-acetylamino)-piperidin-1-yl]-N-(4-methoxy-2-nitro-phenyl)-acetamide::2-[4-(2-methoxyethanoylamino)piperidin-1-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide::2-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide::2-[4-[(2-methoxyacetyl)amino]piperidino]-N-(4-methoxy-2-nitro-phenyl)acetamide::MLS000558822::N-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methoxy-1-oxoethyl)amino]-1-piperidinyl]acetamide::SMR000173402::cid_3220834

SMILES: COCC(=O)NC1CCN(CC(=O)Nc2ccc(OC)cc2[N+]([O-])=O)CC1

InChI Key: InChIKey=XKEHIJDFRYPCOI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95489   
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
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95489
PNG
(2-[4-(2-Methoxy-acetylamino)-piperidin-1-yl]-N-(4-...)
Show SMILES COCC(=O)NC1CCN(CC(=O)Nc2ccc(OC)cc2[N+]([O-])=O)CC1
Show InChI InChI=1S/C17H24N4O6/c1-26-11-17(23)18-12-5-7-20(8-6-12)10-16(22)19-14-4-3-13(27-2)9-15(14)21(24)25/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,18,23)(H,19,22)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

n/an/a 3.90E+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