BDBM50529397 CHEMBL4475002

SMILES: CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(nc(N)nc12)C(F)(F)F

InChI Key: InChIKey=CREODQUBUNFTFH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50529397   

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))	BDBM50529397 (CHEMBL4475002) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(nc(N)nc12)C(F)(F)F Show InChI InChI=1S/C16H14F3N7O/c1-6(2)26-13-10(12(16(17,18)19)23-14(20)24-13)11(25-26)7-3-4-9-8(5-7)22-15(21)27-9/h3-6H,1-2H3,(H2,21,22)(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using GFP-4E-BP1 ...				ACS Med Chem Lett 10: 1561-1567 (2019) Article DOI: 10.1021/acsmedchemlett.9b00401
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50529397 (CHEMBL4475002) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(nc(N)nc12)C(F)(F)F Show InChI InChI=1S/C16H14F3N7O/c1-6(2)26-13-10(12(16(17,18)19)23-14(20)24-13)11(25-26)7-3-4-9-8(5-7)22-15(21)27-9/h3-6H,1-2H3,(H2,21,22)(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 10: 1561-1567 (2019) Article DOI: 10.1021/acsmedchemlett.9b00401
					More data for this Ligand-Target Pair