null

SMILES: CNc1nc2n(nc(-c3ccc4oc(N)nc4c3)c2c(=O)[nH]1)C(C)C

InChI Key: InChIKey=BSEBEVLEWXFPEJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50529403   

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))	BDBM50529403 (CHEMBL4456417) Show SMILES CNc1nc2n(nc(-c3ccc4oc(N)nc4c3)c2c(=O)[nH]1)C(C)C Show InChI InChI=1S/C16H17N7O2/c1-7(2)23-13-11(14(24)21-16(18-3)20-13)12(22-23)8-4-5-10-9(6-8)19-15(17)25-10/h4-7H,1-3H3,(H2,17,19)(H2,18,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	190	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 BindingDB Entry DOI: 10.7270/Q2P272KM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50529403 (CHEMBL4456417) Show SMILES CNc1nc2n(nc(-c3ccc4oc(N)nc4c3)c2c(=O)[nH]1)C(C)C Show InChI InChI=1S/C16H17N7O2/c1-7(2)23-13-11(14(24)21-16(18-3)20-13)12(22-23)8-4-5-10-9(6-8)19-15(17)25-10/h4-7H,1-3H3,(H2,17,19)(H2,18,20,21,24)	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 BindingDB Entry DOI: 10.7270/Q2P272KM
					More data for this Ligand-Target Pair
Target of rapamycin complex 2 subunit MAPKAP1 (Homo sapiens)	BDBM50529403 (CHEMBL4456417) Show SMILES CNc1nc2n(nc(-c3ccc4oc(N)nc4c3)c2c(=O)[nH]1)C(C)C Show InChI InChI=1S/C16H17N7O2/c1-7(2)23-13-11(14(24)21-16(18-3)20-13)12(22-23)8-4-5-10-9(6-8)19-15(17)25-10/h4-7H,1-3H3,(H2,17,19)(H2,18,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of mTORC2 in human A431 cells assessed as AKT phosphorylation at S473 residue incubated for 3 hrs by HTRF assay				ACS Med Chem Lett 10: 1561-1567 (2019) Article DOI: 10.1021/acsmedchemlett.9b00401 BindingDB Entry DOI: 10.7270/Q2P272KM
					More data for this Ligand-Target Pair
Target of rapamycin complex subunit LST8 (Homo sapiens)	BDBM50529403 (CHEMBL4456417) Show SMILES CNc1nc2n(nc(-c3ccc4oc(N)nc4c3)c2c(=O)[nH]1)C(C)C Show InChI InChI=1S/C16H17N7O2/c1-7(2)23-13-11(14(24)21-16(18-3)20-13)12(22-23)8-4-5-10-9(6-8)19-15(17)25-10/h4-7H,1-3H3,(H2,17,19)(H2,18,20,21,24)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of mTORC1 in human A431 cells assessed as S6RP phosphorylation incubated for 3 hrs by HTRF assay				ACS Med Chem Lett 10: 1561-1567 (2019) Article DOI: 10.1021/acsmedchemlett.9b00401 BindingDB Entry DOI: 10.7270/Q2P272KM
					More data for this Ligand-Target Pair