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 or PDB:

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)	Ligand	Target/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	pH	Temp °C
Trypanothione reductase (Trypanosoma cruzi)	BDBM50259708 (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 MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.45E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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 AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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 AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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