BDBM50389290 CHEMBL2063756

SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc2CCS(=O)(=O)Cc2c(n1)N1CCOC[C@@H]1C

InChI Key: InChIKey=NLFYWTSGSCFECR-AWEZNQCLSA-N

Data: 2 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 4 hits for monomerid = 50389290   

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))	BDBM50389290 (CHEMBL2063756) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CCS(=O)(=O)Cc2c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C21H27N5O4S/c1-3-22-21(27)23-16-6-4-15(5-7-16)19-24-18-8-11-31(28,29)13-17(18)20(25-19)26-9-10-30-12-14(26)2/h4-7,14H,3,8-13H2,1-2H3,(H2,22,23,27)/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	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 22: 5114-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.104 BindingDB Entry DOI: 10.7270/Q29024WG
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50389290 (CHEMBL2063756) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CCS(=O)(=O)Cc2c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C21H27N5O4S/c1-3-22-21(27)23-16-6-4-15(5-7-16)19-24-18-8-11-31(28,29)13-17(18)20(25-19)26-9-10-30-12-14(26)2/h4-7,14H,3,8-13H2,1-2H3,(H2,22,23,27)/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	>4.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 22: 5114-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.104 BindingDB Entry DOI: 10.7270/Q29024WG
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50389290 (CHEMBL2063756) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CCS(=O)(=O)Cc2c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C21H27N5O4S/c1-3-22-21(27)23-16-6-4-15(5-7-16)19-24-18-8-11-31(28,29)13-17(18)20(25-19)26-9-10-30-12-14(26)2/h4-7,14H,3,8-13H2,1-2H3,(H2,22,23,27)/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	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR-mediated AKT phosphorylation at Ser473 by cell based assay				Bioorg Med Chem Lett 22: 5114-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.104 BindingDB Entry DOI: 10.7270/Q29024WG
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50389290 (CHEMBL2063756) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CCS(=O)(=O)Cc2c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C21H27N5O4S/c1-3-22-21(27)23-16-6-4-15(5-7-16)19-24-18-8-11-31(28,29)13-17(18)20(25-19)26-9-10-30-12-14(26)2/h4-7,14H,3,8-13H2,1-2H3,(H2,22,23,27)/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	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR-mediated ribosomal protein S6 kinase phosphorylation by cell based assay				Bioorg Med Chem Lett 22: 5114-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.104 BindingDB Entry DOI: 10.7270/Q29024WG
					More data for this Ligand-Target Pair