BDBM50315762 CHEMBL1092402::N-[2-(Dimethylamino)ethyl]-4-({[4-(7-ethyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]carbamoyl}amino)benzamide

SMILES: CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1

InChI Key: InChIKey=PIBYKCQZEFWRSQ-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 = 50315762   

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))	BDBM50315762 (CHEMBL1092402 | N-[2-(Dimethylamino)ethyl]-4-({[4-...) Show SMILES CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C30H36N8O3/c1-4-37-15-13-25-27(37)34-26(35-28(25)38-17-19-41-20-18-38)21-5-9-23(10-6-21)32-30(40)33-24-11-7-22(8-12-24)29(39)31-14-16-36(2)3/h5-13,15H,4,14,16-20H2,1-3H3,(H,31,39)(H2,32,33,40)	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	0.5	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))	BDBM50315762 (CHEMBL1092402 | N-[2-(Dimethylamino)ethyl]-4-({[4-...) Show SMILES CCn1ccc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1CCOCC1 Show InChI InChI=1S/C30H36N8O3/c1-4-37-15-13-25-27(37)34-26(35-28(25)38-17-19-41-20-18-38)21-5-9-23(10-6-21)32-30(40)33-24-11-7-22(8-12-24)29(39)31-14-16-36(2)3/h5-13,15H,4,14,16-20H2,1-3H3,(H,31,39)(H2,32,33,40)	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	1.80	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