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SMILES: CN(C)CCCN1c2ccccc2Sc2ccc(COc3ccc(cc3)C(C)(C)C)cc12

InChI Key: InChIKey=SPHLLNFNOBCOGJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50408492   
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
Trypanothione reductase


(Trypanosoma cruzi)		BDBM50408492
PNG
(CHEMBL39598)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(COc3ccc(cc3)C(C)(C)C)cc12
Show InChI InChI=1S/C28H34N2OS/c1-28(2,3)22-12-14-23(15-13-22)31-20-21-11-16-27-25(19-21)30(18-8-17-29(4)5)24-9-6-7-10-26(24)32-27/h6-7,9-16,19H,8,17-18,20H2,1-5H3
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MMDB

KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.61E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase

J Med Chem 41: 148-56 (1998)


Article DOI: 10.1021/jm960814j
BindingDB Entry DOI: 10.7270/Q2ZP457X
More data for this
Ligand-Target Pair