Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 373.3 BDBM66337Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM66337 (4-(4-methylphenyl)sulfonylbut-2-ynyl 4-nitrobenzoa...) Show SMILES Cc1ccc(cc1)S(=O)(=O)CC#CCOC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H15NO6S/c1-14-4-10-17(11-5-14)26(23,24)13-3-2-12-25-18(20)15-6-8-16(9-7-15)19(21)22/h4-11H,12-13H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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)	BDBM66337 (4-(4-methylphenyl)sulfonylbut-2-ynyl 4-nitrobenzoa...) Show SMILES Cc1ccc(cc1)S(=O)(=O)CC#CCOC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H15NO6S/c1-14-4-10-17(11-5-14)26(23,24)13-3-2-12-25-18(20)15-6-8-16(9-7-15)19(21)22/h4-11H,12-13H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM66337 (4-(4-methylphenyl)sulfonylbut-2-ynyl 4-nitrobenzoa...) Show SMILES Cc1ccc(cc1)S(=O)(=O)CC#CCOC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H15NO6S/c1-14-4-10-17(11-5-14)26(23,24)13-3-2-12-25-18(20)15-6-8-16(9-7-15)19(21)22/h4-11H,12-13H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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/Q2NK3CGB
					More data for this Ligand-Target Pair
Bcl-2-like protein 11 (Homo sapiens (Human))	BDBM66337 (4-(4-methylphenyl)sulfonylbut-2-ynyl 4-nitrobenzoa...) Show SMILES Cc1ccc(cc1)S(=O)(=O)CC#CCOC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H15NO6S/c1-14-4-10-17(11-5-14)26(23,24)13-3-2-12-25-18(20)15-6-8-16(9-7-15)19(21)22/h4-11H,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>3.50E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24J0CKJ
					More data for this Ligand-Target Pair