BDBM259880 US10308662, Compound 121::US9505780, 121

SMILES: Fc1ccc(C(=O)Nc2ccc(cc2)-c2csc3c2oc(cc3=O)N2CCOCC2)c(Nc2ccc(I)cc2F)c1F

InChI Key: InChIKey=XJCQEFPZFQELSH-UHFFFAOYSA-N

Data: 6 IC50

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 = 259880   

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))	BDBM259880 (US10308662, Compound 121 | US9505780, 121) Show SMILES Fc1ccc(C(=O)Nc2ccc(cc2)-c2csc3c2oc(cc3=O)N2CCOCC2)c(Nc2ccc(I)cc2F)c1F Show InChI InChI=1S/C30H21F3IN3O4S/c31-21-7-6-19(27(26(21)33)36-23-8-3-17(34)13-22(23)32)30(39)35-18-4-1-16(2-5-18)20-15-42-29-24(38)14-25(41-28(20)29)37-9-11-40-12-10-37/h1-8,13-15,36H,9-12H2,(H,35,39)	GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	255	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
Bromodomain-containing protein 4 Bromo 2 domain(BRD4 BD2) (Homo sapiens (Human))	BDBM259880 (US10308662, Compound 121 | US9505780, 121) Show SMILES Fc1ccc(C(=O)Nc2ccc(cc2)-c2csc3c2oc(cc3=O)N2CCOCC2)c(Nc2ccc(I)cc2F)c1F Show InChI InChI=1S/C30H21F3IN3O4S/c31-21-7-6-19(27(26(21)33)36-23-8-3-17(34)13-22(23)32)30(39)35-18-4-1-16(2-5-18)20-15-42-29-24(38)14-25(41-28(20)29)37-9-11-40-12-10-37/h1-8,13-15,36H,9-12H2,(H,35,39)	GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.31E+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
PI3-kinase class I (Homo sapiens (Human))	BDBM259880 (US10308662, Compound 121 | US9505780, 121) Show SMILES Fc1ccc(C(=O)Nc2ccc(cc2)-c2csc3c2oc(cc3=O)N2CCOCC2)c(Nc2ccc(I)cc2F)c1F Show InChI InChI=1S/C30H21F3IN3O4S/c31-21-7-6-19(27(26(21)33)36-23-8-3-17(34)13-22(23)32)30(39)35-18-4-1-16(2-5-18)20-15-42-29-24(38)14-25(41-28(20)29)37-9-11-40-12-10-37/h1-8,13-15,36H,9-12H2,(H,35,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	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
BRD4 bromodomain 1 (Homo sapiens (Human))	BDBM259880 (US10308662, Compound 121 | US9505780, 121) Show SMILES Fc1ccc(C(=O)Nc2ccc(cc2)-c2csc3c2oc(cc3=O)N2CCOCC2)c(Nc2ccc(I)cc2F)c1F Show InChI InChI=1S/C30H21F3IN3O4S/c31-21-7-6-19(27(26(21)33)36-23-8-3-17(34)13-22(23)32)30(39)35-18-4-1-16(2-5-18)20-15-42-29-24(38)14-25(41-28(20)29)37-9-11-40-12-10-37/h1-8,13-15,36H,9-12H2,(H,35,39)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	255	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
BRD4 bromodomain 2 (Homo sapiens (Human))	BDBM259880 (US10308662, Compound 121 | US9505780, 121) Show SMILES Fc1ccc(C(=O)Nc2ccc(cc2)-c2csc3c2oc(cc3=O)N2CCOCC2)c(Nc2ccc(I)cc2F)c1F Show InChI InChI=1S/C30H21F3IN3O4S/c31-21-7-6-19(27(26(21)33)36-23-8-3-17(34)13-22(23)32)30(39)35-18-4-1-16(2-5-18)20-15-42-29-24(38)14-25(41-28(20)29)37-9-11-40-12-10-37/h1-8,13-15,36H,9-12H2,(H,35,39)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.31E+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))	BDBM259880 (US10308662, Compound 121 | US9505780, 121) Show SMILES Fc1ccc(C(=O)Nc2ccc(cc2)-c2csc3c2oc(cc3=O)N2CCOCC2)c(Nc2ccc(I)cc2F)c1F Show InChI InChI=1S/C30H21F3IN3O4S/c31-21-7-6-19(27(26(21)33)36-23-8-3-17(34)13-22(23)32)30(39)35-18-4-1-16(2-5-18)20-15-42-29-24(38)14-25(41-28(20)29)37-9-11-40-12-10-37/h1-8,13-15,36H,9-12H2,(H,35,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	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