BDBM50439528 CHEMBL2418338

SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)c(nc2n1)C(C)(C)O

InChI Key: InChIKey=IPHNOCGBVIOIIF-AWEZNQCLSA-N

Data: 3 KI

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 3 hits for monomerid = 50439528   

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))	BDBM50439528 (CHEMBL2418338) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)c(nc2n1)C(C)(C)O |r| Show InChI InChI=1S/C23H31N7O3/c1-6-24-22(31)25-16-9-7-15(8-10-16)18-26-19-17(29(5)21(28-19)23(3,4)32)20(27-18)30-11-12-33-13-14(30)2/h7-10,14,32H,6,11-13H2,1-5H3,(H2,24,25,31)/t14-/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 alpha isoform (Homo sapiens (Human))	BDBM50439528 (CHEMBL2418338) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)c(nc2n1)C(C)(C)O |r| Show InChI InChI=1S/C23H31N7O3/c1-6-24-22(31)25-16-9-7-15(8-10-16)18-26-19-17(29(5)21(28-19)23(3,4)32)20(27-18)30-11-12-33-13-14(30)2/h7-10,14,32H,6,11-13H2,1-5H3,(H2,24,25,31)/t14-/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	7.00E+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))	BDBM50439528 (CHEMBL2418338) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2C)c2n(C)c(nc2n1)C(C)(C)O |r| Show InChI InChI=1S/C23H31N7O3/c1-6-24-22(31)25-16-9-7-15(8-10-16)18-26-19-17(29(5)21(28-19)23(3,4)32)20(27-18)30-11-12-33-13-14(30)2/h7-10,14,32H,6,11-13H2,1-5H3,(H2,24,25,31)/t14-/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	7.30E+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 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