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BDBM95541 3-nitro-N-(4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)benzamide::3-nitro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide::3-nitro-N-[4-(tetrahydrofurfurylcarbamoyl)phenyl]benzamide::3-nitro-N-[4-[oxo-(2-oxolanylmethylamino)methyl]phenyl]benzamide::MLS001000870::SMR000497809::cid_2948274

SMILES: [O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)NCC1CCCO1

InChI Key: InChIKey=ANXRXBJOHOQQPE-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95541   
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))
BDBM95541
PNG
(3-nitro-N-(4-{[(tetrahydro-2-furanylmethyl)amino]c...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)NCC1CCCO1
Show InChI InChI=1S/C19H19N3O5/c23-18(20-12-17-5-2-10-27-17)13-6-8-15(9-7-13)21-19(24)14-3-1-4-16(11-14)22(25)26/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,20,23)(H,21,24)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.99E+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