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BDBM83826 (2S)-2-[[[(2R)-1-ethoxy-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]sulfamoyl]-(phenylmethyl)amino]-3-methylbutanoic acid methyl ester::(2S)-2-[benzyl-[[(1R)-2-ethoxy-2-keto-1-methyl-ethyl]-p-anisyl-sulfamoyl]amino]-3-methyl-butyric acid methyl ester::MLS002240571::SMR001308239::cid_42628460::methyl (2S)-2-[[[(2R)-1-ethoxy-1-oxidanylidene-propan-2-yl]-[(4-methoxyphenyl)methyl]sulfamoyl]-(phenylmethyl)amino]-3-methyl-butanoate::methyl (2S)-2-[benzyl-[[(2R)-1-ethoxy-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]sulfamoyl]amino]-3-methylbutanoate

SMILES: CCOC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](C(C)C)C(=O)OC

InChI Key: InChIKey=QIXRUPAPEGXBCS-YKSBVNFPSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83826   
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
FXN frataxin


(Aspergillus niger)		BDBM83826
PNG
((2S)-2-[[[(2R)-1-ethoxy-1-oxopropan-2-yl]-[(4-meth...)
Show SMILES CCOC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C26H36N2O7S/c1-7-35-25(29)20(4)27(17-22-13-15-23(33-5)16-14-22)36(31,32)28(18-21-11-9-8-10-12-21)24(19(2)3)26(30)34-6/h8-16,19-20,24H,7,17-18H2,1-6H3/t20-,24+/m1/s1
UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.97E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair