BDBM50088 2-(4-tert-butylbenzyl)-1,2,3,4-benzothiatriazine 1,1-dioxide::2-[(4-tert-butylphenyl)methyl]-1,2,3,4-benzothiatriazine 1,1-dioxide::2-[4-(tert-butyl)benzyl]-1lambda~6~,2,3,4-benzothiatriazine-1,1(2H)-dione::MLS000544980::SMR000126737::cid_3775134

SMILES: CC(C)(C)c1ccc(CN2N=Nc3ccccc3S2(=O)=O)cc1

InChI Key: InChIKey=LSHDZDBLOAGRBW-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50088   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50088 (2-(4-tert-butylbenzyl)-1,2,3,4-benzothiatriazine 1...) Show SMILES CC(C)(C)c1ccc(CN2N=Nc3ccccc3S2(=O)=O)cc1 |c:10| Show InChI InChI=1S/C17H19N3O2S/c1-17(2,3)14-10-8-13(9-11-14)12-20-19-18-15-6-4-5-7-16(15)23(20,21)22/h4-11H,12H2,1-3H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair
neutrophil cytosolic factor 1 (Homo sapiens (Human))	BDBM50088 (2-(4-tert-butylbenzyl)-1,2,3,4-benzothiatriazine 1...) Show SMILES CC(C)(C)c1ccc(CN2N=Nc3ccccc3S2(=O)=O)cc1 |c:10| Show InChI InChI=1S/C17H19N3O2S/c1-17(2,3)14-10-8-13(9-11-14)12-20-19-18-15-6-4-5-7-16(15)23(20,21)22/h4-11H,12H2,1-3H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank 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
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M90723
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM50088 (2-(4-tert-butylbenzyl)-1,2,3,4-benzothiatriazine 1...) Show SMILES CC(C)(C)c1ccc(CN2N=Nc3ccccc3S2(=O)=O)cc1 |c:10| Show InChI InChI=1S/C17H19N3O2S/c1-17(2,3)14-10-8-13(9-11-14)12-20-19-18-15-6-4-5-7-16(15)23(20,21)22/h4-11H,12H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM50088 (2-(4-tert-butylbenzyl)-1,2,3,4-benzothiatriazine 1...) Show SMILES CC(C)(C)c1ccc(CN2N=Nc3ccccc3S2(=O)=O)cc1 |c:10| Show InChI InChI=1S/C17H19N3O2S/c1-17(2,3)14-10-8-13(9-11-14)12-20-19-18-15-6-4-5-7-16(15)23(20,21)22/h4-11H,12H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
XBP1 (Homo sapiens (Human))	BDBM50088 (2-(4-tert-butylbenzyl)-1,2,3,4-benzothiatriazine 1...) Show SMILES CC(C)(C)c1ccc(CN2N=Nc3ccccc3S2(=O)=O)cc1 |c:10| Show InChI InChI=1S/C17H19N3O2S/c1-17(2,3)14-10-8-13(9-11-14)12-20-19-18-15-6-4-5-7-16(15)23(20,21)22/h4-11H,12H2,1-3H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex) (Saccharomyces cerevisiae S288c)	BDBM50088 (2-(4-tert-butylbenzyl)-1,2,3,4-benzothiatriazine 1...) Show SMILES CC(C)(C)c1ccc(CN2N=Nc3ccccc3S2(=O)=O)cc1 |c:10| Show InChI InChI=1S/C17H19N3O2S/c1-17(2,3)14-10-8-13(9-11-14)12-20-19-18-15-6-4-5-7-16(15)23(20,21)22/h4-11H,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.66E+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)	BDBM50088 (2-(4-tert-butylbenzyl)-1,2,3,4-benzothiatriazine 1...) Show SMILES CC(C)(C)c1ccc(CN2N=Nc3ccccc3S2(=O)=O)cc1 |c:10| Show InChI InChI=1S/C17H19N3O2S/c1-17(2,3)14-10-8-13(9-11-14)12-20-19-18-15-6-4-5-7-16(15)23(20,21)22/h4-11H,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.10E+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