BDBM11297 4,6-dimethyl-2-[(4-methylbenzene)sulfonyl]-5-nitropyridine-3-carbonitrile::Compound 1 analog 8::cid_2726176

SMILES: Cc1ccc(cc1)S(=O)(=O)c1nc(C)c(c(C)c1C#N)[N+]([O-])=O

InChI Key: InChIKey=SWVOLMFAZXVBNL-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 = 11297   

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
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11297 (4,6-dimethyl-2-[(4-methylbenzene)sulfonyl]-5-nitro...) Show SMILES Cc1ccc(cc1)S(=O)(=O)c1nc(C)c(c(C)c1C#N)[N+]([O-])=O Show InChI InChI=1S/C15H13N3O4S/c1-9-4-6-12(7-5-9)23(21,22)15-13(8-16)10(2)14(18(19)20)11(3)17-15/h4-7H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	7.0	25
National Defense Medical Center					Assay Description The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...				J Med Chem 49: 5154-61 (2006) Article DOI: 10.1021/jm060207o BindingDB Entry DOI: 10.7270/Q2M906V0
					More data for this Ligand-Target Pair
LAP4 (Saccharomyces cerevisiae)	BDBM11297 (4,6-dimethyl-2-[(4-methylbenzene)sulfonyl]-5-nitro...) Show SMILES Cc1ccc(cc1)S(=O)(=O)c1nc(C)c(c(C)c1C#N)[N+]([O-])=O Show InChI InChI=1S/C15H13N3O4S/c1-9-4-6-12(7-5-9)23(21,22)15-13(8-16)10(2)14(18(19)20)11(3)17-15/h4-7H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.17E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q21R6P02
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11297 (4,6-dimethyl-2-[(4-methylbenzene)sulfonyl]-5-nitro...) Show SMILES Cc1ccc(cc1)S(=O)(=O)c1nc(C)c(c(C)c1C#N)[N+]([O-])=O Show InChI InChI=1S/C15H13N3O4S/c1-9-4-6-12(7-5-9)23(21,22)15-13(8-16)10(2)14(18(19)20)11(3)17-15/h4-7H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars		n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex) (Saccharomyces cerevisiae S288c)	BDBM11297 (4,6-dimethyl-2-[(4-methylbenzene)sulfonyl]-5-nitro...) Show SMILES Cc1ccc(cc1)S(=O)(=O)c1nc(C)c(c(C)c1C#N)[N+]([O-])=O Show InChI InChI=1S/C15H13N3O4S/c1-9-4-6-12(7-5-9)23(21,22)15-13(8-16)10(2)14(18(19)20)11(3)17-15/h4-7H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q26D5RGW
					More data for this Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space (Saccharomyces cerevisiae S288c)	BDBM11297 (4,6-dimethyl-2-[(4-methylbenzene)sulfonyl]-5-nitro...) Show SMILES Cc1ccc(cc1)S(=O)(=O)c1nc(C)c(c(C)c1C#N)[N+]([O-])=O Show InChI InChI=1S/C15H13N3O4S/c1-9-4-6-12(7-5-9)23(21,22)15-13(8-16)10(2)14(18(19)20)11(3)17-15/h4-7H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	4.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X6W
					More data for this Ligand-Target Pair