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SMILES: NC(=S)NN=Cc1cccc(Br)c1

InChI Key: InChIKey=FGGWIXJNLRDBPW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50114665   
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
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50114665
PNG
(2-(trifluoromethyl)benzaldehyde thiosemicarbazone ...)
Show SMILES NC(=S)NN=Cc1cccc(Br)c1 |w:5.5|
Show InChI InChI=1S/C8H8BrN3S/c9-7-3-1-2-6(4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
670n/an/an/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 46: 5473-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.009
BindingDB Entry DOI: 10.7270/Q2GM87QH
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50114665
PNG
(2-(trifluoromethyl)benzaldehyde thiosemicarbazone ...)
Show SMILES NC(=S)NN=Cc1cccc(Br)c1 |w:5.5|
Show InChI InChI=1S/C8H8BrN3S/c9-7-3-1-2-6(4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.30E+3n/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)


BindingDB Entry DOI: 10.7270/Q2ZP45FM
More data for this
Ligand-Target Pair
Urease


(Canavalia ensiformis (Jack bean) (Horse bean))
BDBM50114665
PNG
(2-(trifluoromethyl)benzaldehyde thiosemicarbazone ...)
Show SMILES NC(=S)NN=Cc1cccc(Br)c1 |w:5.5|
Show InChI InChI=1S/C8H8BrN3S/c9-7-3-1-2-6(4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 767n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method


Eur J Med Chem 46: 5473-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.009
BindingDB Entry DOI: 10.7270/Q2GM87QH
More data for this
Ligand-Target Pair