BDBM50314353 (2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2H)-one::4,6-dihydroxy-2-((1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)benzofuran-3(2H)-one::CHEMBL1094017

SMILES: CN1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c12

InChI Key: InChIKey=RLZIWQDVHJTWEF-NVMNQCDNSA-N

Data: 2 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 2 hits for monomerid = 50314353   

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 alpha isoform (Homo sapiens (Human))	BDBM50314353 ((2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperaz...) Show SMILES CN1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c12 Show InChI InChI=1S/C22H22N4O4/c1-24-5-7-26(8-6-24)15-3-4-23-22-19(15)13(12-25(22)2)9-18-21(29)20-16(28)10-14(27)11-17(20)30-18/h3-4,9-12,27-28H,5-8H2,1-2H3/b18-9-	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	43	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: 2321-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.135 BindingDB Entry DOI: 10.7270/Q2PK0G82
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50314353 ((2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperaz...) Show SMILES CN1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c12 Show InChI InChI=1S/C22H22N4O4/c1-24-5-7-26(8-6-24)15-3-4-23-22-19(15)13(12-25(22)2)9-18-21(29)20-16(28)10-14(27)11-17(20)30-18/h3-4,9-12,27-28H,5-8H2,1-2H3/b18-9-	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	0.940	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: 2321-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.135 BindingDB Entry DOI: 10.7270/Q2PK0G82
					More data for this Ligand-Target Pair