BDBM33159 MLS000392833::N-[3-[(1,1-diketothiolan-3-yl)amino]-1,4-diketo-2-naphthyl]benzamide::N-[3-[(1,1-dioxo-3-thiolanyl)amino]-1,4-dioxo-2-naphthalenyl]benzamide::N-[3-[(1,1-dioxothiolan-3-yl)amino]-1,4-dioxonaphthalen-2-yl]benzamide::N-[3-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-1,4-bis(oxidanylidene)naphthalen-2-yl]benzamide::SMR000261720::cid_4654931

SMILES: O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1

InChI Key: InChIKey=XXPFGRVEANGYDQ-UHFFFAOYSA-N

Data: 7 IC50  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 9 hits for monomerid = 33159   

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
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM33159 (MLS000392833 | N-[3-[(1,1-diketothiolan-3-yl)amino...) Show SMILES O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1 |c:3| Show InChI InChI=1S/C21H18N2O5S/c24-19-15-8-4-5-9-16(15)20(25)18(23-21(26)13-6-2-1-3-7-13)17(19)22-14-10-11-29(27,28)12-14/h1-9,14,22H,10-12H2,(H,23,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.59E+3	n/a	n/a	7.4	4
NMMLSC Curated by PubChem BioAssay					Assay Description The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2CN728N
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM33159 (MLS000392833 | N-[3-[(1,1-diketothiolan-3-yl)amino...) Show SMILES O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1 |c:3| Show InChI InChI=1S/C21H18N2O5S/c24-19-15-8-4-5-9-16(15)20(25)18(23-21(26)13-6-2-1-3-7-13)17(19)22-14-10-11-29(27,28)12-14/h1-9,14,22H,10-12H2,(H,23,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.97E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2B27SQ0
					More data for this Ligand-Target Pair
DNA recombination protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM33159 (MLS000392833 | N-[3-[(1,1-diketothiolan-3-yl)amino...) Show SMILES O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1 |c:3| Show InChI InChI=1S/C21H18N2O5S/c24-19-15-8-4-5-9-16(15)20(25)18(23-21(26)13-6-2-1-3-7-13)17(19)22-14-10-11-29(27,28)12-14/h1-9,14,22H,10-12H2,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay					Assay Description Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q26H4FW6
					More data for this Ligand-Target Pair
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM33159 (MLS000392833 | N-[3-[(1,1-diketothiolan-3-yl)amino...) Show SMILES O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1 |c:3| Show InChI InChI=1S/C21H18N2O5S/c24-19-15-8-4-5-9-16(15)20(25)18(23-21(26)13-6-2-1-3-7-13)17(19)22-14-10-11-29(27,28)12-14/h1-9,14,22H,10-12H2,(H,23,26)	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.14E+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, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2W094D4
					More data for this Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM33159 (MLS000392833 | N-[3-[(1,1-diketothiolan-3-yl)amino...) Show SMILES O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1 |c:3| Show InChI InChI=1S/C21H18N2O5S/c24-19-15-8-4-5-9-16(15)20(25)18(23-21(26)13-6-2-1-3-7-13)17(19)22-14-10-11-29(27,28)12-14/h1-9,14,22H,10-12H2,(H,23,26)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2WS8RXV
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM33159 (MLS000392833 | N-[3-[(1,1-diketothiolan-3-yl)amino...) Show SMILES O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1 |c:3| Show InChI InChI=1S/C21H18N2O5S/c24-19-15-8-4-5-9-16(15)20(25)18(23-21(26)13-6-2-1-3-7-13)17(19)22-14-10-11-29(27,28)12-14/h1-9,14,22H,10-12H2,(H,23,26)	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	2.10E+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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JS9NZB
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM33159 (MLS000392833 | N-[3-[(1,1-diketothiolan-3-yl)amino...) Show SMILES O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1 |c:3| Show InChI InChI=1S/C21H18N2O5S/c24-19-15-8-4-5-9-16(15)20(25)18(23-21(26)13-6-2-1-3-7-13)17(19)22-14-10-11-29(27,28)12-14/h1-9,14,22H,10-12H2,(H,23,26)	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	>1.00E+5	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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2F18X8S
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM33159 (MLS000392833 | N-[3-[(1,1-diketothiolan-3-yl)amino...) Show SMILES O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1 |c:3| Show InChI InChI=1S/C21H18N2O5S/c24-19-15-8-4-5-9-16(15)20(25)18(23-21(26)13-6-2-1-3-7-13)17(19)22-14-10-11-29(27,28)12-14/h1-9,14,22H,10-12H2,(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.64E+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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F
					More data for this Ligand-Target Pair
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM33159 (MLS000392833 | N-[3-[(1,1-diketothiolan-3-yl)amino...) Show SMILES O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1 |c:3| Show InChI InChI=1S/C21H18N2O5S/c24-19-15-8-4-5-9-16(15)20(25)18(23-21(26)13-6-2-1-3-7-13)17(19)22-14-10-11-29(27,28)12-14/h1-9,14,22H,10-12H2,(H,23,26)	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.33E+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, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q23F4N3R
					More data for this Ligand-Target Pair