BDBM50343763 (S)-1-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl)-3-ethylurea::CHEMBL1774353

SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc2c(COC2(C)C)c(n1)N1CCOC[C@@H]1C

InChI Key: InChIKey=XQPKHRSBCBVPLK-AWEZNQCLSA-N

Data: 1 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 3 hits for monomerid = 50343763   

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))	BDBM50343763 ((S)-1-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-5,7-...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(COC2(C)C)c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C22H29N5O3/c1-5-23-21(28)24-16-8-6-15(7-9-16)19-25-18-17(13-30-22(18,3)4)20(26-19)27-10-11-29-12-14(27)2/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,28)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	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 expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343763 ((S)-1-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-5,7-...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(COC2(C)C)c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C22H29N5O3/c1-5-23-21(28)24-16-8-6-15(7-9-16)19-25-18-17(13-30-22(18,3)4)20(26-19)27-10-11-29-12-14(27)2/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,28)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of mTOR in human NCI-PC3 cells assessed as inhibition of p70S6k phosphorylation by electrochemiluminescence assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343763 ((S)-1-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-5,7-...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(COC2(C)C)c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C22H29N5O3/c1-5-23-21(28)24-16-8-6-15(7-9-16)19-25-18-17(13-30-22(18,3)4)20(26-19)27-10-11-29-12-14(27)2/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,28)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of mTor in human NCI-PC3 cells assessed as inhibition of Akt phosphorylation at serine473 by electrochemiluminescence assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair