BDBM41312 2-(3-butoxyquinoxalin-2-yl)-2-(phenylsulfonyl)ethanenitrile::2-(benzenesulfonyl)-2-(3-butoxy-2-quinoxalinyl)acetonitrile::2-(benzenesulfonyl)-2-(3-butoxyquinoxalin-2-yl)acetonitrile::2-besyl-2-(3-butoxyquinoxalin-2-yl)acetonitrile::MLS000048714::SMR000060258::cid_2998732

SMILES: CCCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=IBDCCLWQMGOTKO-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 41312   

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
Cathepsin S (Homo sapiens (Human))	BDBM41312 (2-(3-butoxyquinoxalin-2-yl)-2-(phenylsulfonyl)etha...) Show SMILES CCCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H19N3O3S/c1-2-3-13-26-20-19(22-16-11-7-8-12-17(16)23-20)18(14-21)27(24,25)15-9-5-4-6-10-15/h4-12,18H,2-3,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2V69H02
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM41312 (2-(3-butoxyquinoxalin-2-yl)-2-(phenylsulfonyl)etha...) Show SMILES CCCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H19N3O3S/c1-2-3-13-26-20-19(22-16-11-7-8-12-17(16)23-20)18(14-21)27(24,25)15-9-5-4-6-10-15/h4-12,18H,2-3,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23J3BC8
					More data for this Ligand-Target Pair