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BDBM50114602 3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1-carbothioic acid amide::CHEMBL406038

SMILES: CC1CN(N=C1c1cccc(Br)c1)C(N)=S

InChI Key: InChIKey=TUTYQOJCTUPRCE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50114602   
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
Cruzipain


(Trypanosoma cruzi)
BDBM50114602
PNG
(3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1...)
Show SMILES CC1CN(N=C1c1cccc(Br)c1)C(N)=S
Show InChI InChI=1S/C11H12BrN3S/c1-7-6-15(11(13)16)14-10(7)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H2,13,16)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein


J Med Chem 45: 2695-707 (2002)


Article DOI: 10.1021/jm010459j
BindingDB Entry DOI: 10.7270/Q2ZP45FM
More data for this
Ligand-Target Pair