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BDBM95653 1-oxido-3-pyridin-1-iumcarboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester::1-oxidopyridin-1-ium-3-carboxylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester::MLS002170576::SMR001250891::[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate::[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-3-carboxylate::cid_3659548

SMILES: [O-][N+](=O)c1ccc(NC(=O)COC(=O)c2ccc[n+]([O-])c2)c(Cl)c1

InChI Key: InChIKey=NKIPVDSATFHILU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95653   
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))
BDBM95653
PNG
(1-oxido-3-pyridin-1-iumcarboxylic acid [2-(2-chlor...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)COC(=O)c2ccc[n+]([O-])c2)c(Cl)c1
Show InChI InChI=1S/C14H10ClN3O6/c15-11-6-10(18(22)23)3-4-12(11)16-13(19)8-24-14(20)9-2-1-5-17(21)7-9/h1-7H,8H2,(H,16,19)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.98E+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