new BindingDB logo
myBDB logout

BDBM22100 6-{[(3,4-dichlorophenyl)methyl]amino}-9-[3-(methoxymethoxy)propyl]-9H-purine-2-carbonitrile::Compound 3{12,8}

SMILES: COCOCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N

InChI Key: InChIKey=IZXKZDIOOZXGPH-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 22100   
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
Cathepsin B-Like Cysteine Protease (TbcatB)


(Trypanosoma brucei)
BDBM22100
PNG
(6-{[(3,4-dichlorophenyl)methyl]amino}-9-[3-(methox...)
Show SMILES COCOCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N
Show InChI InChI=1S/C18H18Cl2N6O2/c1-27-11-28-6-2-5-26-10-23-16-17(24-15(8-21)25-18(16)26)22-9-12-3-4-13(19)14(20)7-12/h3-4,7,10H,2,5-6,9,11H2,1H3,(H,22,24,25)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/a25



University of California at San Francisco



Assay Description
Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...


J Med Chem 51: 545-52 (2008)


Article DOI: 10.1021/jm070760l
BindingDB Entry DOI: 10.7270/Q2V40SH0
More data for this
Ligand-Target Pair