BDBM50315756 1-{4-[4-Morpholin-4-yl-7-(2-piperazin-1-ylethyl)-7H-pyrrolo-[2,3-d]pyrimidin-2-yl]phenyl}-3-pyridin-4-ylurea::CHEMBL1092280

SMILES: O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ccn(CCN3CCNCC3)c2n1

InChI Key: InChIKey=GNYQXZOLUIPGGQ-UHFFFAOYSA-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 = 50315756   

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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50315756 (1-{4-[4-Morpholin-4-yl-7-(2-piperazin-1-ylethyl)-7...) Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ccn(CCN3CCNCC3)c2n1 Show InChI InChI=1S/C28H33N9O2/c38-28(32-23-5-8-29-9-6-23)31-22-3-1-21(2-4-22)25-33-26-24(27(34-25)37-17-19-39-20-18-37)7-12-36(26)16-15-35-13-10-30-11-14-35/h1-9,12,30H,10-11,13-20H2,(H2,29,31,32,38)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR by DELFIA				J Med Chem 53: 3169-82 (2010) Article DOI: 10.1021/jm901783v BindingDB Entry DOI: 10.7270/Q21J99XP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50315756 (1-{4-[4-Morpholin-4-yl-7-(2-piperazin-1-ylethyl)-7...) Show SMILES O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ccn(CCN3CCNCC3)c2n1 Show InChI InChI=1S/C28H33N9O2/c38-28(32-23-5-8-29-9-6-23)31-22-3-1-21(2-4-22)25-33-26-24(27(34-25)37-17-19-39-20-18-37)7-12-36(26)16-15-35-13-10-30-11-14-35/h1-9,12,30H,10-11,13-20H2,(H2,29,31,32,38)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay				J Med Chem 53: 3169-82 (2010) Article DOI: 10.1021/jm901783v BindingDB Entry DOI: 10.7270/Q21J99XP
					More data for this Ligand-Target Pair