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BDBM95624 2,4-dihydroxybenzoic acid [2-[4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazino]-2-keto-ethyl] ester::2,4-dihydroxybenzoic acid [2-[4-[2-[(2,4-dihydroxyphenyl)-oxomethoxy]-1-oxoethyl]-1-piperazinyl]-2-oxoethyl] ester::MLS001160749::SMR000707481::[2-[4-[2-(2,4-dihydroxybenzoyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 2,4-dihydroxybenzoate::[2-[4-[2-[2,4-bis(oxidanyl)phenyl]carbonyloxyethanoyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2,4-bis(oxidanyl)benzoate::cid_24687847

SMILES: Oc1ccc(C(=O)OCC(=O)N2CCN(CC2)C(=O)COC(=O)c2ccc(O)cc2O)c(O)c1

InChI Key: InChIKey=LIJGFSUQQHIVKT-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95624   
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))
BDBM95624
PNG
(2,4-dihydroxybenzoic acid [2-[4-[2-(2,4-dihydroxyb...)
Show SMILES Oc1ccc(C(=O)OCC(=O)N2CCN(CC2)C(=O)COC(=O)c2ccc(O)cc2O)c(O)c1
Show InChI InChI=1S/C22H22N2O10/c25-13-1-3-15(17(27)9-13)21(31)33-11-19(29)23-5-7-24(8-6-23)20(30)12-34-22(32)16-4-2-14(26)10-18(16)28/h1-4,9-10,25-28H,5-8,11-12H2
PDB
MMDB

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PC cid
PC sid
UniChem
n/an/a 3.12E+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