BDBM80779 MLS000547762::N-[2-(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acenaphthen-1-yl]-benzenesulfonamide::N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide::N-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide::N-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acenaphthen-1-yl]benzenesulfonamide::SMR000172259::cid_2913537

SMILES: Cn1cnnc1SC1C(NS(=O)(=O)c2ccccc2)c2cccc3cccc1c23

InChI Key: InChIKey=FGWXANCJYIKIKW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 80779   

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
Hexokinase type I (Homo sapiens (Human))	BDBM80779 (MLS000547762 | N-[2-(4-Methyl-4H-[1,2,4]triazol-3-...) Show SMILES Cn1cnnc1SC1C(NS(=O)(=O)c2ccccc2)c2cccc3cccc1c23 Show InChI InChI=1S/C21H18N4O2S2/c1-25-13-22-23-21(25)28-20-17-12-6-8-14-7-5-11-16(18(14)17)19(20)24-29(26,27)15-9-3-2-4-10-15/h2-13,19-20,24H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.47E+4	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, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2765CSM
					More data for this Ligand-Target Pair
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM80779 (MLS000547762 | N-[2-(4-Methyl-4H-[1,2,4]triazol-3-...) Show SMILES Cn1cnnc1SC1C(NS(=O)(=O)c2ccccc2)c2cccc3cccc1c23 Show InChI InChI=1S/C21H18N4O2S2/c1-25-13-22-23-21(25)28-20-17-12-6-8-14-7-5-11-16(18(14)17)19(20)24-29(26,27)15-9-3-2-4-10-15/h2-13,19-20,24H,1H3	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.67E+4	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, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2R78CQV
					More data for this Ligand-Target Pair