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BDBM50259708 BAY-2502::BAY-A2502::BAYER-2502::CHEBI:7566::DNDI1613515::Lampit::NIFURTIMOX::Nifurtimox

SMILES: CC1CS(=O)(=O)CCN1\N=C\c1ccc(o1)[N+]([O-])=O

InChI Key: InChIKey=ARFHIAQFJWUCFH-IZZDOVSWSA-N

Data: 1 KI  4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50259708   
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)
BDBM50259708
PNG
(BAY-2502 | BAY-A2502 | BAYER-2502 | CHEBI:7566 | D...)
Show SMILES CC1CS(=O)(=O)CCN1\N=C\c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+
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MMDB

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Article
PubMed
2.45E+5n/an/an/an/an/an/an/an/a



Universidad Nacional del Litoral

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of Trypanosoma cruzi trypanothione reductase using T(SH)2 as substrate at pH 7.5 in presence of NADPH by photometric method


Eur J Med Chem 125: 1088-1097 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.055
BindingDB Entry DOI: 10.7270/Q2TM7DKH
More data for this
Ligand-Target Pair
10 kDa chaperonin


(Escherichia coli)
BDBM50259708
PNG
(BAY-2502 | BAY-A2502 | BAYER-2502 | CHEBI:7566 | D...)
Show SMILES CC1CS(=O)(=O)CCN1\N=C\c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+
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Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...


Bioorg Med Chem Lett 26: 5247-5253 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.051
BindingDB Entry DOI: 10.7270/Q2WW7MRM
More data for this
Ligand-Target Pair
HSP60/HSP10


(Homo sapiens)
BDBM50259708
PNG
(BAY-2502 | BAY-A2502 | BAYER-2502 | CHEBI:7566 | D...)
Show SMILES CC1CS(=O)(=O)CCN1\N=C\c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+
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PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of human mitochondrial HSP60/HSP10-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured M...


Bioorg Med Chem Lett 26: 5247-5253 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.051
BindingDB Entry DOI: 10.7270/Q2WW7MRM
More data for this
Ligand-Target Pair
HSP60/HSP10


(Homo sapiens)
BDBM50259708
PNG
(BAY-2502 | BAY-A2502 | BAYER-2502 | CHEBI:7566 | D...)
Show SMILES CC1CS(=O)(=O)CCN1\N=C\c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of human mitochondrial HSP60/HSP10 expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding pre...


Bioorg Med Chem Lett 26: 5247-5253 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.051
BindingDB Entry DOI: 10.7270/Q2WW7MRM
More data for this
Ligand-Target Pair
10 kDa chaperonin


(Escherichia coli)
BDBM50259708
PNG
(BAY-2502 | BAY-A2502 | BAYER-2502 | CHEBI:7566 | D...)
Show SMILES CC1CS(=O)(=O)CCN1\N=C\c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+
PDB

UniProtKB/TrEMBL

GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...


Bioorg Med Chem Lett 26: 5247-5253 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.051
BindingDB Entry DOI: 10.7270/Q2WW7MRM
More data for this
Ligand-Target Pair