BDBM50427457 CHEMBL2326952::US10308662, Compound 25::US9505780, 25

SMILES: CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1

InChI Key: InChIKey=VRBZWFAUTHKRBB-UHFFFAOYSA-N

Data: 16 IC50

PDB links: 1 PDB ID matches this monomer.

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 16 hits for monomerid = 50427457   

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
Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1) (Homo sapiens (Human))	BDBM50427457 (CHEMBL2326952 | US10308662, Compound 25 | US950578...) Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3	GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	277	n/a	n/a	n/a	n/a	n/a	n/a
SignalRx Pharmaceuticals, Inc. US Patent					Assay Description Several TP Scaffold compounds were tested for inhibition activity against isoforms of PI3K (alpha, beta, gamma, and delta isoforms) and the bromodoma...				US Patent US9505780 (2016) BindingDB Entry DOI: 10.7270/Q22B8WZ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50427457 (CHEMBL2326952 | US10308662, Compound 25 | US950578...) Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...				J Med Chem 50: 2647-54 (2007) BindingDB Entry DOI: 10.7270/Q24170D7
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50427457 (CHEMBL2326952 | US10308662, Compound 25 | US950578...) Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	714	n/a	n/a	n/a	n/a	n/a	n/a
SignalRx Pharmaceuticals, Inc. US Patent					Assay Description Several TP Scaffold compounds were tested for inhibition activity against isoforms of PI3K (alpha, beta, gamma, and delta isoforms) and the bromodoma...				US Patent US9505780 (2016) BindingDB Entry DOI: 10.7270/Q22B8WZ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50427457 (CHEMBL2326952 | US10308662, Compound 25 | US950578...) Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
SignalRx Pharmaceuticals, Inc. US Patent					Assay Description Several TP Scaffold compounds were tested for inhibition activity against isoforms of PI3K (alpha, beta, gamma, and delta isoforms) and the bromodoma...				US Patent US9505780 (2016) BindingDB Entry DOI: 10.7270/Q22B8WZ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50427457 (CHEMBL2326952 | US10308662, Compound 25 | US950578...) Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
SignalRx Pharmaceuticals, Inc. US Patent					Assay Description Several TP Scaffold compounds were tested for inhibition activity against isoforms of PI3K (alpha, beta, gamma, and delta isoforms) and the bromodoma...				US Patent US9505780 (2016) BindingDB Entry DOI: 10.7270/Q22B8WZ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50427457 (CHEMBL2326952 | US10308662, Compound 25 | US950578...) Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
SignalRx Pharmaceuticals, Inc. US Patent					Assay Description Several TP Scaffold compounds were tested for inhibition activity against isoforms of PI3K (alpha, beta, gamma, and delta isoforms) and the bromodoma...				US Patent US9505780 (2016) BindingDB Entry DOI: 10.7270/Q22B8WZ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50427457 (CHEMBL2326952 | US10308662, Compound 25 | US950578...) Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of PI3K p110gamma (unknown origin)				J Med Chem 56: 1922-39 (2013) Article DOI: 10.1021/jm301522m BindingDB Entry DOI: 10.7270/Q2Z89DR9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50427457 (CHEMBL2326952 | US10308662, Compound 25 | US950578...) Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	714	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of PI3K p110alpha (unknown origin)				J Med Chem 56: 1922-39 (2013) Article DOI: 10.1021/jm301522m BindingDB Entry DOI: 10.7270/Q2Z89DR9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50427457 (CHEMBL2326952 | US10308662, Compound 25 | US950578...) Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of PI3K p110delta (unknown origin)				J Med Chem 56: 1922-39 (2013) Article DOI: 10.1021/jm301522m BindingDB Entry DOI: 10.7270/Q2Z89DR9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50427457 (CHEMBL2326952 | US10308662, Compound 25 | US950578...) Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of PI3K p110beta (unknown origin)				J Med Chem 56: 1922-39 (2013) Article DOI: 10.1021/jm301522m BindingDB Entry DOI: 10.7270/Q2Z89DR9
					More data for this Ligand-Target Pair
BRD4 bromodomain 1 (Homo sapiens (Human))	BDBM50427457 (CHEMBL2326952 | US10308662, Compound 25 | US950578...) Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	277	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...				J Med Chem 50: 2647-54 (2007) BindingDB Entry DOI: 10.7270/Q24170D7
					More data for this Ligand-Target Pair				3D Structure (crystal)
BRD4 bromodomain 2 (Homo sapiens (Human))	BDBM50427457 (CHEMBL2326952 | US10308662, Compound 25 | US950578...) Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	628	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...				J Med Chem 50: 2647-54 (2007) BindingDB Entry DOI: 10.7270/Q24170D7
					More data for this Ligand-Target Pair
PI3-kinase class I (Homo sapiens (Human))	BDBM50427457 (CHEMBL2326952 | US10308662, Compound 25 | US950578...) Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	714	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...				J Med Chem 50: 2647-54 (2007) BindingDB Entry DOI: 10.7270/Q24170D7
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta (Homo sapiens (Human))	BDBM50427457 (CHEMBL2326952 | US10308662, Compound 25 | US950578...) Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...				J Med Chem 50: 2647-54 (2007) BindingDB Entry DOI: 10.7270/Q24170D7
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50427457 (CHEMBL2326952 | US10308662, Compound 25 | US950578...) Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...				J Med Chem 50: 2647-54 (2007) BindingDB Entry DOI: 10.7270/Q24170D7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 Bromo 2 domain(BRD4 BD2) (Homo sapiens (Human))	BDBM50427457 (CHEMBL2326952 | US10308662, Compound 25 | US950578...) Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3	GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	628	n/a	n/a	n/a	n/a	n/a	n/a
SignalRx Pharmaceuticals, Inc. US Patent					Assay Description Several TP Scaffold compounds were tested for inhibition activity against isoforms of PI3K (alpha, beta, gamma, and delta isoforms) and the bromodoma...				US Patent US9505780 (2016) BindingDB Entry DOI: 10.7270/Q22B8WZ1
					More data for this Ligand-Target Pair