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BDBM95652 (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester::(2S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester::MLS002161817::SMR001244235::[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate::[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate::cid_16247418

SMILES: COc1cc(OC)cc(c1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)Nc1ccc2OCOc2c1

InChI Key: InChIKey=IGBQCXWMBXWLBG-NRFANRHFSA-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 = 95652   
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))
BDBM95652
PNG
((2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-buty...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C23H26N2O8/c1-13(2)21(25-22(27)14-7-16(29-3)10-17(8-14)30-4)23(28)31-11-20(26)24-15-5-6-18-19(9-15)33-12-32-18/h5-10,13,21H,11-12H2,1-4H3,(H,24,26)(H,25,27)/t21-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

PCBioAssay
n/an/a 4.71E+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