Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase mTOR' and Ligand = 'BDBM315477'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM315477 (US10172858, Table 1.1 | US10172858, Table 1.22) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	1	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
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Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315477 (US10172858, Table 1.1 | US10172858, Table 1.22) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mTOR (unknown origin) by LanthaScreen assay				Citation and Details Article DOI: 10.1039/d0md00227e BindingDB Entry DOI: 10.7270/Q2G164F2
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315477 (US10172858, Table 1.1 | US10172858, Table 1.22) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mTOR (unknown origin) using U-Light-4E-BP1 peptide as a substrate in the presence of ATP incubated for 30 mins by Lance ultra assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113824 BindingDB Entry DOI: 10.7270/Q2NP287M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315477 (US10172858, Table 1.1 | US10172858, Table 1.22) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315477 (US10172858, Table 1.1 | US10172858, Table 1.22) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315477 (US10172858, Table 1.1 | US10172858, Table 1.22) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315477 (US10172858, Table 1.1 | US10172858, Table 1.22) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	0.0920	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human mTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay				J Med Chem 61: 10084-10105 (2018) Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07
					More data for this Ligand-Target Pair