BDBM50439527 CHEMBL2418339

SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)cnc2n1

InChI Key: InChIKey=VNORXAXGKIUEIT-ZDUSSCGKSA-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 = 50439527   

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))	BDBM50439527 (CHEMBL2418339) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)cnc2n1 |r| Show InChI InChI=1S/C20H25N7O2/c1-4-21-20(28)23-15-7-5-14(6-8-15)17-24-18-16(26(3)12-22-18)19(25-17)27-9-10-29-11-13(27)2/h5-8,12-13H,4,9-11H2,1-3H3,(H2,21,23,28)/t13-/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	30	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 delta isoform (Homo sapiens (Human))	BDBM50439527 (CHEMBL2418339) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)cnc2n1 |r| Show InChI InChI=1S/C20H25N7O2/c1-4-21-20(28)23-15-7-5-14(6-8-15)17-24-18-16(26(3)12-22-18)19(25-17)27-9-10-29-11-13(27)2/h5-8,12-13H,4,9-11H2,1-3H3,(H2,21,23,28)/t13-/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50439527 (CHEMBL2418339) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)cnc2n1 |r| Show InChI InChI=1S/C20H25N7O2/c1-4-21-20(28)23-15-7-5-14(6-8-15)17-24-18-16(26(3)12-22-18)19(25-17)27-9-10-29-11-13(27)2/h5-8,12-13H,4,9-11H2,1-3H3,(H2,21,23,28)/t13-/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	>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 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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50439527 (CHEMBL2418339) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)cnc2n1 |r| Show InChI InChI=1S/C20H25N7O2/c1-4-21-20(28)23-15-7-5-14(6-8-15)17-24-18-16(26(3)12-22-18)19(25-17)27-9-10-29-11-13(27)2/h5-8,12-13H,4,9-11H2,1-3H3,(H2,21,23,28)/t13-/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	2.20E+3	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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50439527 (CHEMBL2418339) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)cnc2n1 |r| Show InChI InChI=1S/C20H25N7O2/c1-4-21-20(28)23-15-7-5-14(6-8-15)17-24-18-16(26(3)12-22-18)19(25-17)27-9-10-29-11-13(27)2/h5-8,12-13H,4,9-11H2,1-3H3,(H2,21,23,28)/t13-/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	630	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