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SMILES: CN1CCN(CCCNC(=O)CCCCc2c(O)c3cccc(O)c3c(O)c2C=CCCC(=O)NCCCN2CCN(C)CC2)CC1

InChI Key: InChIKey=XACOYAUZMURMMN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096079   
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)		BDBM50096079
PNG
(5-(5-Hydroxy-3-{4-[3-(4-methyl-piperazin-1-yl)-pro...)
Show SMILES CN1CCN(CCCNC(=O)CCCCc2c(O)c3cccc(O)c3c(O)c2C=CCCC(=O)NCCCN2CCN(C)CC2)CC1 |w:29.31|
Show InChI InChI=1S/C36H56N6O5/c1-39-20-24-41(25-21-39)18-8-16-37-32(44)14-5-3-10-28-29(36(47)34-30(35(28)46)12-7-13-31(34)43)11-4-6-15-33(45)38-17-9-19-42-26-22-40(2)23-27-42/h4,7,11-13,43,46-47H,3,5-6,8-10,14-27H2,1-2H3,(H,37,44)(H,38,45)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



UMR 8525 CNRS - Université Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 microM T(S)2.

J Med Chem 44: 548-65 (2001)


BindingDB Entry DOI: 10.7270/Q2MC8Z7R
More data for this
Ligand-Target Pair