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BDBM50354280 CHEMBL1836605

SMILES: CC1=Nc2ccc(Cl)cc2C(N1CCN1CCCCC1)c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=AVOCSWBCFNLNCB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50354280   
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 (TryR)


(Trypanosoma brucei brucei)
BDBM50354280
PNG
(CHEMBL1836605)
Show SMILES CC1=Nc2ccc(Cl)cc2C(N1CCN1CCCCC1)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C26H34ClN3/c1-19-28-24-13-12-22(27)18-23(24)25(20-8-10-21(11-9-20)26(2,3)4)30(19)17-16-29-14-6-5-7-15-29/h8-13,18,25H,5-7,14-17H2,1-4H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
BindingDB Entry DOI: 10.7270/Q2G73F4P
More data for this
Ligand-Target Pair