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BDBM50408496 CHLORACYZINE

SMILES: CCN(CC)CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc12

InChI Key: InChIKey=ZZKWNLZUYAGVOT-UHFFFAOYSA-N

Data: 1 IC50

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Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50408496   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50408496
PNG
(CHLORACYZINE)
Show SMILES CCN(CC)CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2OS/c1-3-21(4-2)12-11-19(23)22-15-7-5-6-8-17(15)24-18-10-9-14(20)13-16(18)22/h5-10,13H,3-4,11-12H2,1-2H3
PDB
MMDB

KEGG

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UniProtKB/TrEMBL

DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.02E+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