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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50130309'   
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)		BDBM50130309
PNG
(CHEMBL3633037)
Show SMILES [Cl-].C[N+](C)(CCCNc1cc(F)ccc1Nc1ccc(cc1)C(F)(F)F)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H26Cl2F4N3.ClH/c1-34(2,16-17-4-7-19(26)14-22(17)27)13-3-12-32-24-15-20(28)8-11-23(24)33-21-9-5-18(6-10-21)25(29,30)31;/h4-11,14-15,32-33H,3,12-13,16H2,1-2H3;1H/q+1;/p-1
PDB
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KEGG

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PC cid
PC sid
UniChem

Patents
Article
PubMed
 2.40E+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