BDBM50315759 CHEMBL1092073::N-[2-(Dimethylamino)ethyl]-4-[({4-[4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl}carbamoyl)amino]benzamide

SMILES: CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ccn(CC(F)(F)F)c3n2)cc1

InChI Key: InChIKey=ABOUWUWXUJHANF-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 = 50315759   

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))	BDBM50315759 (CHEMBL1092073 | N-[2-(Dimethylamino)ethyl]-4-[({4-...) Show SMILES CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ccn(CC(F)(F)F)c3n2)cc1 Show InChI InChI=1S/C30H33F3N8O3/c1-39(2)14-12-34-28(42)21-5-9-23(10-6-21)36-29(43)35-22-7-3-20(4-8-22)25-37-26(40-15-17-44-18-16-40)24-11-13-41(27(24)38-25)19-30(31,32)33/h3-11,13H,12,14-19H2,1-2H3,(H,34,42)(H2,35,36,43)	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	0.400	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))	BDBM50315759 (CHEMBL1092073 | N-[2-(Dimethylamino)ethyl]-4-[({4-...) Show SMILES CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ccn(CC(F)(F)F)c3n2)cc1 Show InChI InChI=1S/C30H33F3N8O3/c1-39(2)14-12-34-28(42)21-5-9-23(10-6-21)36-29(43)35-22-7-3-20(4-8-22)25-37-26(40-15-17-44-18-16-40)24-11-13-41(27(24)38-25)19-30(31,32)33/h3-11,13H,12,14-19H2,1-2H3,(H,34,42)(H2,35,36,43)	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	1.40	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