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SMILES: Cc1nnc2[C@@H](N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1)C(=O)OC(C)(C)C

InChI Key: InChIKey=DOXYOPGGFSMXOX-GOSISDBHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 259897   

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 [75-147] (Homo sapiens (Human))	BDBM259897 (US9505780, JQ-1) Show SMILES Cc1nnc2[C@@H](N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1)C(=O)OC(C)(C)C |c:6| Show InChI InChI=1S/C22H23ClN4O2S/c1-11-12(2)30-20-16(11)17(14-7-9-15(23)10-8-14)24-18(21(28)29-22(4,5)6)19-26-25-13(3)27(19)20/h7-10,18H,1-6H3/t18-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27.1	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 [368-440] (Homo sapiens (Human))	BDBM259897 (US9505780, JQ-1) Show SMILES Cc1nnc2[C@@H](N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1)C(=O)OC(C)(C)C |c:6| Show InChI InChI=1S/C22H23ClN4O2S/c1-11-12(2)30-20-16(11)17(14-7-9-15(23)10-8-14)24-18(21(28)29-22(4,5)6)19-26-25-13(3)27(19)20/h7-10,18H,1-6H3/t18-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39.1	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))	BDBM259897 (US9505780, JQ-1) Show SMILES Cc1nnc2[C@@H](N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1)C(=O)OC(C)(C)C |c:6| Show InChI InChI=1S/C22H23ClN4O2S/c1-11-12(2)30-20-16(11)17(14-7-9-15(23)10-8-14)24-18(21(28)29-22(4,5)6)19-26-25-13(3)27(19)20/h7-10,18H,1-6H3/t18-/m1/s1	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	>5.00E+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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM259897 (US9505780, JQ-1) Show SMILES Cc1nnc2[C@@H](N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1)C(=O)OC(C)(C)C |c:6| Show InChI InChI=1S/C22H23ClN4O2S/c1-11-12(2)30-20-16(11)17(14-7-9-15(23)10-8-14)24-18(21(28)29-22(4,5)6)19-26-25-13(3)27(19)20/h7-10,18H,1-6H3/t18-/m1/s1	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	>5.00E+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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM259897 (US9505780, JQ-1) Show SMILES Cc1nnc2[C@@H](N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1)C(=O)OC(C)(C)C |c:6| Show InChI InChI=1S/C22H23ClN4O2S/c1-11-12(2)30-20-16(11)17(14-7-9-15(23)10-8-14)24-18(21(28)29-22(4,5)6)19-26-25-13(3)27(19)20/h7-10,18H,1-6H3/t18-/m1/s1	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	>5.00E+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