BDBM43228 1,1,4,4-tetraketo-6-phenyl-N-(p-tolyl)-2,3-dihydro-1,4-dithiin-5-carboxamide::MLS001017303::N-(4-methylphenyl)-1,1,4,4-tetrakis(oxidanylidene)-6-phenyl-2,3-dihydro-1,4-dithiine-5-carboxamide::N-(4-methylphenyl)-1,1,4,4-tetraoxo-6-phenyl-2,3-dihydro-1,4-dithiin-5-carboxamide::N-(4-methylphenyl)-1,1,4,4-tetraoxo-6-phenyl-2,3-dihydro-1,4-dithiine-5-carboxamide::SMR000353543::cid_2330223

SMILES: Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1

InChI Key: InChIKey=JVNAUJPDGUYHKO-UHFFFAOYSA-N

Data: 6 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 8 hits for monomerid = 43228   

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
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM43228 (1,1,4,4-tetraketo-6-phenyl-N-(p-tolyl)-2,3-dihydro...) Show SMILES Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1 |c:8| Show InChI InChI=1S/C18H17NO5S2/c1-13-7-9-15(10-8-13)19-18(20)17-16(14-5-3-2-4-6-14)25(21,22)11-12-26(17,23)24/h2-10H,11-12H2,1H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.87E+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 I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22J698B
					More data for this Ligand-Target Pair
NS3 (Hepatitis C virus)	BDBM43228 (1,1,4,4-tetraketo-6-phenyl-N-(p-tolyl)-2,3-dihydro...) Show SMILES Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1 |c:8| Show InChI InChI=1S/C18H17NO5S2/c1-13-7-9-15(10-8-13)19-18(20)17-16(14-5-3-2-4-6-14)25(21,22)11-12-26(17,23)24/h2-10H,11-12H2,1H3,(H,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.23E+3	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 (2009) BindingDB Entry DOI: 10.7270/Q2XS5ST3
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM43228 (1,1,4,4-tetraketo-6-phenyl-N-(p-tolyl)-2,3-dihydro...) Show SMILES Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1 |c:8| Show InChI InChI=1S/C18H17NO5S2/c1-13-7-9-15(10-8-13)19-18(20)17-16(14-5-3-2-4-6-14)25(21,22)11-12-26(17,23)24/h2-10H,11-12H2,1H3,(H,19,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.72E+3	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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2319TBQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase RIPK2 (Homo sapiens (Human))	BDBM43228 (1,1,4,4-tetraketo-6-phenyl-N-(p-tolyl)-2,3-dihydro...) Show SMILES Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1 |c:8| Show InChI InChI=1S/C18H17NO5S2/c1-13-7-9-15(10-8-13)19-18(20)17-16(14-5-3-2-4-6-14)25(21,22)11-12-26(17,23)24/h2-10H,11-12H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2T15278
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM43228 (1,1,4,4-tetraketo-6-phenyl-N-(p-tolyl)-2,3-dihydro...) Show SMILES Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1 |c:8| Show InChI InChI=1S/C18H17NO5S2/c1-13-7-9-15(10-8-13)19-18(20)17-16(14-5-3-2-4-6-14)25(21,22)11-12-26(17,23)24/h2-10H,11-12H2,1H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>6.66E+4	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/Q2NG4P4X
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6) (Homo sapiens (Human))	BDBM43228 (1,1,4,4-tetraketo-6-phenyl-N-(p-tolyl)-2,3-dihydro...) Show SMILES Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1 |c:8| Show InChI InChI=1S/C18H17NO5S2/c1-13-7-9-15(10-8-13)19-18(20)17-16(14-5-3-2-4-6-14)25(21,22)11-12-26(17,23)24/h2-10H,11-12H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.79E+4	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/Q20P0XHD
					More data for this Ligand-Target Pair
Beta lactamase (Pseudomonas aeruginosa)	BDBM43228 (1,1,4,4-tetraketo-6-phenyl-N-(p-tolyl)-2,3-dihydro...) Show SMILES Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1 |c:8| Show InChI InChI=1S/C18H17NO5S2/c1-13-7-9-15(10-8-13)19-18(20)17-16(14-5-3-2-4-6-14)25(21,22)11-12-26(17,23)24/h2-10H,11-12H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>4.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2XS5T0R
					More data for this Ligand-Target Pair
Hsf1 protein (Mus musculus)	BDBM43228 (1,1,4,4-tetraketo-6-phenyl-N-(p-tolyl)-2,3-dihydro...) Show SMILES Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1 |c:8| Show InChI InChI=1S/C18H17NO5S2/c1-13-7-9-15(10-8-13)19-18(20)17-16(14-5-3-2-4-6-14)25(21,22)11-12-26(17,23)24/h2-10H,11-12H2,1H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX
					More data for this Ligand-Target Pair