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SMILES: CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1

InChI Key: InChIKey=NMQCEBYWACRDIR-NRFANRHFSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 91498   
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
Mitochondrial peptide methionine sulfoxide reductase


(Bos taurus)		BDBM91498
PNG
((2S)-2-benzamido-3-methyl-butyric acid (4-keto-5-p...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1
Show InChI InChI=1S/C25H23N3O4S/c1-15(2)21(28-22(29)17-11-7-4-8-12-17)25(31)32-13-19-26-23(30)20-18(14-33-24(20)27-19)16-9-5-3-6-10-16/h3-12,14-15,21H,13H2,1-2H3,(H,28,29)(H,26,27,30)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.04E+5n/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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair