BDBM50314348 2-((4-(4-aminopiperidin-1-yl)-1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-4-hydroxybenzofuran-3(2H)-one::CHEMBL1092474

SMILES: Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(N)CC1

InChI Key: InChIKey=FVLOMFSEAPDXER-WQRHYEAKSA-N

Data: 2 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 2 hits for monomerid = 50314348   

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))	BDBM50314348 (2-((4-(4-aminopiperidin-1-yl)-1-methyl-1H-pyrrolo[...) Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(N)CC1 Show InChI InChI=1S/C22H22N4O3/c1-25-12-13(11-18-21(28)20-16(27)3-2-4-17(20)29-18)19-15(5-8-24-22(19)25)26-9-6-14(23)7-10-26/h2-5,8,11-12,14,27H,6-7,9-10,23H2,1H3/b18-11-	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	119	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))	BDBM50314348 (2-((4-(4-aminopiperidin-1-yl)-1-methyl-1H-pyrrolo[...) Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(N)CC1 Show InChI InChI=1S/C22H22N4O3/c1-25-12-13(11-18-21(28)20-16(27)3-2-4-17(20)29-18)19-15(5-8-24-22(19)25)26-9-6-14(23)7-10-26/h2-5,8,11-12,14,27H,6-7,9-10,23H2,1H3/b18-11-	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	19	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