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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50130308'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50130308
PNG
(CHEMBL3633036)
Show SMILES [Cl-].CC(C)(C)c1ccc(Nc2ccc(F)cc2NCCC[N+](C)(C)Cc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C28H35Cl2FN3.ClH/c1-28(2,3)21-8-12-24(13-9-21)33-26-14-11-23(31)18-27(26)32-15-6-16-34(4,5)19-20-7-10-22(29)17-25(20)30;/h7-14,17-18,32-33H,6,15-16,19H2,1-5H3;1H/q+1;/p-1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 8.40E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Trypanosoma cruzi Trypanothione reductase by photometric assay

J Med Chem 58: 8315-59 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00258
BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair