BDBM72975 6-[[3-ethoxy-1-(4-ethoxy-3-methoxy-phenyl)-3-keto-propyl]sulfamoyl]-4-keto-1H-quinoline-3-carboxylic acid::6-[[3-ethoxy-1-(4-ethoxy-3-methoxy-phenyl)-3-oxidanylidene-propyl]sulfamoyl]-4-oxidanylidene-1H-quinoline-3-carboxylic acid::6-[[3-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-3-oxopropyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid::MLS000950188::SMR000621519::cid_24789764

SMILES: CCOC(=O)CC(NS(=O)(=O)c1ccc2ncc(C(O)=O)c(O)c2c1)c1ccc(OCC)c(OC)c1

InChI Key: InChIKey=VAJSNFCQMQFFCW-UHFFFAOYSA-N

Data: 4 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 6 hits for monomerid = 72975   

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
Heat shock factor protein 1 (Mus musculus)	BDBM72975 (6-[[3-ethoxy-1-(4-ethoxy-3-methoxy-phenyl)-3-keto-...) Show SMILES CCOC(=O)CC(NS(=O)(=O)c1ccc2ncc(C(O)=O)c(O)c2c1)c1ccc(OCC)c(OC)c1 Show InChI InChI=1S/C24H26N2O9S/c1-4-34-20-9-6-14(10-21(20)33-3)19(12-22(27)35-5-2)26-36(31,32)15-7-8-18-16(11-15)23(28)17(13-25-18)24(29)30/h6-11,13,19,26H,4-5,12H2,1-3H3,(H,25,28)(H,29,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>2.60E+5	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: Confirmation testing of small molecules identifie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2P55KXK
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM72975 (6-[[3-ethoxy-1-(4-ethoxy-3-methoxy-phenyl)-3-keto-...) Show SMILES CCOC(=O)CC(NS(=O)(=O)c1ccc2ncc(C(O)=O)c(O)c2c1)c1ccc(OCC)c(OC)c1 Show InChI InChI=1S/C24H26N2O9S/c1-4-34-20-9-6-14(10-21(20)33-3)19(12-22(27)35-5-2)26-36(31,32)15-7-8-18-16(11-15)23(28)17(13-25-18)24(29)30/h6-11,13,19,26H,4-5,12H2,1-3H3,(H,25,28)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.62E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5 (Homo sapiens (Human))	BDBM72975 (6-[[3-ethoxy-1-(4-ethoxy-3-methoxy-phenyl)-3-keto-...) Show SMILES CCOC(=O)CC(NS(=O)(=O)c1ccc2ncc(C(O)=O)c(O)c2c1)c1ccc(OCC)c(OC)c1 Show InChI InChI=1S/C24H26N2O9S/c1-4-34-20-9-6-14(10-21(20)33-3)19(12-22(27)35-5-2)26-36(31,32)15-7-8-18-16(11-15)23(28)17(13-25-18)24(29)30/h6-11,13,19,26H,4-5,12H2,1-3H3,(H,25,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>8.00E+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 (2012) BindingDB Entry DOI: 10.7270/Q2KH0KWR
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM72975 (6-[[3-ethoxy-1-(4-ethoxy-3-methoxy-phenyl)-3-keto-...) Show SMILES CCOC(=O)CC(NS(=O)(=O)c1ccc2ncc(C(O)=O)c(O)c2c1)c1ccc(OCC)c(OC)c1 Show InChI InChI=1S/C24H26N2O9S/c1-4-34-20-9-6-14(10-21(20)33-3)19(12-22(27)35-5-2)26-36(31,32)15-7-8-18-16(11-15)23(28)17(13-25-18)24(29)30/h6-11,13,19,26H,4-5,12H2,1-3H3,(H,25,28)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.00E+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 (2012) BindingDB Entry DOI: 10.7270/Q2959G44
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM72975 (6-[[3-ethoxy-1-(4-ethoxy-3-methoxy-phenyl)-3-keto-...) Show SMILES CCOC(=O)CC(NS(=O)(=O)c1ccc2ncc(C(O)=O)c(O)c2c1)c1ccc(OCC)c(OC)c1 Show InChI InChI=1S/C24H26N2O9S/c1-4-34-20-9-6-14(10-21(20)33-3)19(12-22(27)35-5-2)26-36(31,32)15-7-8-18-16(11-15)23(28)17(13-25-18)24(29)30/h6-11,13,19,26H,4-5,12H2,1-3H3,(H,25,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.53E+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 (2012) BindingDB Entry DOI: 10.7270/Q2T43RPN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5 (Homo sapiens (Human))	BDBM72975 (6-[[3-ethoxy-1-(4-ethoxy-3-methoxy-phenyl)-3-keto-...) Show SMILES CCOC(=O)CC(NS(=O)(=O)c1ccc2ncc(C(O)=O)c(O)c2c1)c1ccc(OCC)c(OC)c1 Show InChI InChI=1S/C24H26N2O9S/c1-4-34-20-9-6-14(10-21(20)33-3)19(12-22(27)35-5-2)26-36(31,32)15-7-8-18-16(11-15)23(28)17(13-25-18)24(29)30/h6-11,13,19,26H,4-5,12H2,1-3H3,(H,25,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.63E+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 (2012) BindingDB Entry DOI: 10.7270/Q2DV1HGT
					More data for this Ligand-Target Pair