BDBM50315453 4,6-dihydroxy-2-((1-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)-5-methoxy-2-methyl-1H-indol-3-yl)methylene)benzofuran-3(2H)-one::CHEMBL1093449

SMILES: COc1ccc2n(CCCN3CCN(CCO)CC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1

InChI Key: InChIKey=RQCSBIVSTZKQFC-ONUIUJJFSA-N

Data: 3 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 3 hits for monomerid = 50315453   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50315453 (4,6-dihydroxy-2-((1-(3-(4-(2-hydroxyethyl)piperazi...) Show SMILES COc1ccc2n(CCCN3CCN(CCO)CC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C28H33N3O6/c1-18-21(17-26-28(35)27-24(34)14-19(33)15-25(27)37-26)22-16-20(36-2)4-5-23(22)31(18)7-3-6-29-8-10-30(11-9-29)12-13-32/h4-5,14-17,32-34H,3,6-13H2,1-2H3/b26-17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma				Bioorg Med Chem Lett 20: 2586-90 (2010) Article DOI: 10.1016/j.bmcl.2010.02.082 BindingDB Entry DOI: 10.7270/Q2FQ9WRX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50315453 (4,6-dihydroxy-2-((1-(3-(4-(2-hydroxyethyl)piperazi...) Show SMILES COc1ccc2n(CCCN3CCN(CCO)CC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C28H33N3O6/c1-18-21(17-26-28(35)27-24(34)14-19(33)15-25(27)37-26)22-16-20(36-2)4-5-23(22)31(18)7-3-6-29-8-10-30(11-9-29)12-13-32/h4-5,14-17,32-34H,3,6-13H2,1-2H3/b26-17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 2586-90 (2010) Article DOI: 10.1016/j.bmcl.2010.02.082 BindingDB Entry DOI: 10.7270/Q2FQ9WRX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50315453 (4,6-dihydroxy-2-((1-(3-(4-(2-hydroxyethyl)piperazi...) Show SMILES COc1ccc2n(CCCN3CCN(CCO)CC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C28H33N3O6/c1-18-21(17-26-28(35)27-24(34)14-19(33)15-25(27)37-26)22-16-20(36-2)4-5-23(22)31(18)7-3-6-29-8-10-30(11-9-29)12-13-32/h4-5,14-17,32-34H,3,6-13H2,1-2H3/b26-17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 2586-90 (2010) Article DOI: 10.1016/j.bmcl.2010.02.082 BindingDB Entry DOI: 10.7270/Q2FQ9WRX
					More data for this Ligand-Target Pair