BDBM50439516 CHEMBL2418350

SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2CC)c2n(C)nc(C)c2n1

InChI Key: InChIKey=UOSMQIZUJQHAMW-KRWDZBQOSA-N

Data: 3 KI  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 5 hits for monomerid = 50439516   

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))	BDBM50439516 (CHEMBL2418350) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2CC)c2n(C)nc(C)c2n1 |r| Show InChI InChI=1S/C22H29N7O2/c1-5-17-13-31-12-11-29(17)21-19-18(14(3)27-28(19)4)25-20(26-21)15-7-9-16(10-8-15)24-22(30)23-6-2/h7-10,17H,5-6,11-13H2,1-4H3,(H2,23,24,30)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR (1360-2549) expressed in insect cells assessed as phosphorylation of recombinant (GFP)-4-EBP1 after 30 mins by L...				Bioorg Med Chem Lett 23: 5097-104 (2013) Article DOI: 10.1016/j.bmcl.2013.07.027 BindingDB Entry DOI: 10.7270/Q2QN687D
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439516 (CHEMBL2418350) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2CC)c2n(C)nc(C)c2n1 |r| Show InChI InChI=1S/C22H29N7O2/c1-5-17-13-31-12-11-29(17)21-19-18(14(3)27-28(19)4)25-20(26-21)15-7-9-16(10-8-15)24-22(30)23-6-2/h7-10,17H,5-6,11-13H2,1-4H3,(H2,23,24,30)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of TAMRA-PIP3 from PI3Kalpha GRP-1 pleckstrin homology domain (unknown origin) assessed as formation of 3,4,5-inositoltriphosphate after...				Bioorg Med Chem Lett 23: 5097-104 (2013) Article DOI: 10.1016/j.bmcl.2013.07.027 BindingDB Entry DOI: 10.7270/Q2QN687D
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50439516 (CHEMBL2418350) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2CC)c2n(C)nc(C)c2n1 |r| Show InChI InChI=1S/C22H29N7O2/c1-5-17-13-31-12-11-29(17)21-19-18(14(3)27-28(19)4)25-20(26-21)15-7-9-16(10-8-15)24-22(30)23-6-2/h7-10,17H,5-6,11-13H2,1-4H3,(H2,23,24,30)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of TAMRA-PIP3 from PI3Kdelta GRP-1 pleckstrin homology domain (unknown origin) assessed as formation of 3,4,5-inositoltriphosphate after...				Bioorg Med Chem Lett 23: 5097-104 (2013) Article DOI: 10.1016/j.bmcl.2013.07.027 BindingDB Entry DOI: 10.7270/Q2QN687D
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50439516 (CHEMBL2418350) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2CC)c2n(C)nc(C)c2n1 |r| Show InChI InChI=1S/C22H29N7O2/c1-5-17-13-31-12-11-29(17)21-19-18(14(3)27-28(19)4)25-20(26-21)15-7-9-16(10-8-15)24-22(30)23-6-2/h7-10,17H,5-6,11-13H2,1-4H3,(H2,23,24,30)/t17-/m0/s1	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of mTOR in PTEN deficient human PC3 cells assessed as inhibition of Akt phosphorylation at Ser473				Bioorg Med Chem Lett 23: 5097-104 (2013) Article DOI: 10.1016/j.bmcl.2013.07.027 BindingDB Entry DOI: 10.7270/Q2QN687D
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50439516 (CHEMBL2418350) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2CC)c2n(C)nc(C)c2n1 |r| Show InChI InChI=1S/C22H29N7O2/c1-5-17-13-31-12-11-29(17)21-19-18(14(3)27-28(19)4)25-20(26-21)15-7-9-16(10-8-15)24-22(30)23-6-2/h7-10,17H,5-6,11-13H2,1-4H3,(H2,23,24,30)/t17-/m0/s1	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of mTOR in PTEN deficient human PC3 cells assessed as inhibition of p70S6K phosphorylation				Bioorg Med Chem Lett 23: 5097-104 (2013) Article DOI: 10.1016/j.bmcl.2013.07.027 BindingDB Entry DOI: 10.7270/Q2QN687D
					More data for this Ligand-Target Pair