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SMILES: [H][C@@]12CN(C[C@]1([H])C(Br)=NO2)C(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=HSJSCKVJOULSOX-SLFFLAALSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50128345   
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
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128345
PNG
(CHEMBL3629346)
Show SMILES [H][C@@]12CN(C[C@]1([H])C(Br)=NO2)C(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccc(cc1)[N+]([O-])=O |r,c:9|
Show InChI InChI=1S/C23H23BrN4O6/c24-21-18-12-27(13-20(18)34-26-21)22(29)19(11-8-15-4-2-1-3-5-15)25-23(30)33-14-16-6-9-17(10-7-16)28(31)32/h1-7,9-10,18-20H,8,11-14H2,(H,25,30)/t18-,19-,20+/m0/s1
PDB
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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 6.81E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair