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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50130310'   
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)		BDBM50130310
PNG
(CHEMBL3633038)
Show SMILES [Cl-].C[N+](C)(CCCNc1cc(F)ccc1Nc1ccc(cc1)S(F)(F)(F)(F)F)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H26Cl2F6N3S.ClH/c1-35(2,16-17-4-5-18(25)14-22(17)26)13-3-12-33-24-15-19(27)6-11-23(24)34-20-7-9-21(10-8-20)36(28,29,30,31)32;/h4-11,14-15,33-34H,3,12-13,16H2,1-2H3;1H/q+1;/p-1
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PC cid
PC sid
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Patents

Similars
Article
PubMed
 2.80E+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