Compile Data Set for Download or QSAR

Found 616 hits with Last Name = 'clary' and Initial = 'l'   

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))	BDBM50606735 (CHEMBL5219718 | US11731973, Example 3) Show SMILES CC1(Cn2nc(-c3ccc4oc(N)nc4c3F)c3c(N)nc(N)nc23)CCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50606737 (CHEMBL5218727 | US11731973, Example 5) Show SMILES CC(C)C[C@H](C)n1nc(-c2ccc3oc(N)nc3c2F)c2c(N)nc(N)nc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50606738 (CHEMBL5218590 | US11731973, Example 6) Show SMILES CCC(C)(C)Cn1nc(-c2ccc3oc(NC(C)=O)nc3c2)c2c(N)nc(N)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50606740 (CHEMBL5220536 | US11731973, Example 30) Show SMILES CC1(Cn2nc(-c3ccc4oc(N)nc4c3)c3c(N)nc(N)nc23)CCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50606739 (CHEMBL5220152 | US11731973, Example 7) Show SMILES CC(C)(C)Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613740 (3-(2-aminobenzoxazol-5-yl)-1-(2,2- dimethylbutyl)-...) Show SMILES CCC(C)(C)Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50606742 (CHEMBL5220948 | US11731973, Example 9) Show SMILES CC1(Cn2nc(-c3ccc4oc(N)nc4c3)c3c(N)nc(N)nc23)CSC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50606736 (CHEMBL5218916 | US11731973, Example 10) Show SMILES CCC(C)(C)Cn1nc(-c2ccc3oc(N)nc3c2F)c2c(N)nc(N)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613743 (1-(2,2-dimethylpropyl)-3-(2- ethylaminobenzoxazol-...) Show SMILES CCNc1nc2cc(ccc2o1)-c1nn(CC(C)(C)C)c2nc(N)nc(N)c12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50606741 (CHEMBL5219710 | US11731973, Example 1) Show SMILES CC(C)C[C@H](C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613734 (3-(2-amino-6-fluorobenzoxazol-5-yl)- 1-((S)-1,3-di...) Show SMILES CC(C)C[C@H](C)n1nc(-c2cc3nc(N)oc3cc2F)c2c(N)nc(N)nc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					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	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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613745 ((+)-3-(2-aminobenzoxazol-5-yl)-1- ((S)-2-methyl-2-...) Show SMILES CC(C)(Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12)[C@@H]1CCCO1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613746 (3-(2-aminobenzoxazol-5-yl)-1-(2,2- dimethylbut-3-y...) Show SMILES CC(C)(Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12)C#C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613744 (3-(2-aminobenzoxazol-5-yl)-1-(2,2- dimethylbut-3-e...) Show SMILES CC(C)(Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12)C=C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613736 (3-(2-amino-6-fluorobenzoxazol-5-yl)- 1-(1-methylcy...) Show SMILES CC1(Cn2nc(-c3cc4nc(N)oc4cc3F)c3c(N)nc(N)nc23)CCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613748 (3-[4,6-diamino-3-(2- aminobenzoxazol-5-yl)pyrazolo...) Show SMILES CC(C)(CO)Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613749 (3-(2-aminobenzoxazol-5-yl)-1-(2- methyl-2-methylsu...) Show SMILES CSC(C)(C)Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613750 (3-(2-amino-4-chlorobenzoxazol-5-yl)- 1-(2,2-dimeth...) Show SMILES CC(C)(C)Cn1nc(-c2ccc3oc(N)nc3c2Cl)c2c(N)nc(N)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM582476 (5-(2-aminobenzoxazol-5-yl)-7-isobutyl-7-methyl-6, ...) Show SMILES CC(C)C[C@]1(C)CN(c2c1ncnc2N)c1ccc2oc(N)nc2c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The model for screening the inhibitory activity of the molecules on mTOR was developed with the LANTHASCREEN™ technology (Lifetechnologies). The reac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP78RQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613751 (3-(2-amino-6-methoxybenzoxazol-5- yl)-1-(2,2-dimet...) Show SMILES COc1cc2oc(N)nc2cc1-c1nn(CC(C)(C)C)c2nc(N)nc(N)c12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613752 (2-[4,6-diamino-1-(2,2- dimethylpropyl)-1H-pyrazolo...) Show SMILES CC(C)(C)Cn1nc(-c2cc3cc(O)cnc3[nH]2)c2c(N)nc(N)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM582489 (5-(2-aminobenzoxazol-5-yl)-7-isobutyl-7-methyl-6,7...) Show SMILES CC(C)CC1(C)CN(c2c1ncnc2N)c1ccc2oc(N)nc2c1 |w:4.3| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The model for screening the inhibitory activity of the molecules on mTOR was developed with the LANTHASCREEN™ technology (Lifetechnologies). The reac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP78RQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613753 (3-(2-amino-6-methoxybenzoxazol-5- yl)-1-(2,2-dimet...) Show SMILES CCC(C)(C)Cn1nc(-c2cc3nc(N)oc3cc2OC)c2c(N)nc(N)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM582479 (5-(2-aminobenzoxazol-5-yl)-7-methyl-7-methylsulfan...) Show SMILES CSCC1(C)CN(c2c1ncnc2N)c1ccc2oc(N)nc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The model for screening the inhibitory activity of the molecules on mTOR was developed with the LANTHASCREEN™ technology (Lifetechnologies). The reac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP78RQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50529395 (CHEMBL4529672 | US11731973, Example 21) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12 Show InChI InChI=1S/C15H16N8O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H4,16,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem		3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613755 (3-(2-aminobenzoxazol-5-yl)-1-(2- ethyl-2-methanesu...) Show SMILES CCC(CC)(Cn1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12)S(C)(=O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50529395 (CHEMBL4529672 | US11731973, Example 21) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)nc(N)nc12 Show InChI InChI=1S/C15H16N8O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H4,16,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	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 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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613756 (3-(2-aminobenzoxazol-5-yl)-4-chloro- 1-isobutyl-1H...) Show SMILES CC(C)Cn1nc(-c2ccc3oc(N)nc3c2)c2c(Cl)nc(N)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50529393 (CHEMBL4564479 | US11731973, Example 24) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2cnc(N)nc12 Show InChI InChI=1S/C15H15N7O/c1-7(2)22-13-9(6-18-14(16)20-13)12(21-22)8-3-4-11-10(5-8)19-15(17)23-11/h3-7H,1-2H3,(H2,17,19)(H2,16,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50529393 (CHEMBL4564479 | US11731973, Example 24) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2cnc(N)nc12 Show InChI InChI=1S/C15H15N7O/c1-7(2)22-13-9(6-18-14(16)20-13)12(21-22)8-3-4-11-10(5-8)19-15(17)23-11/h3-7H,1-2H3,(H2,17,19)(H2,16,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM582490 (5-(2-aminobenzoxazol-5-yl)-7-methyl-7-methylsulfan...) Show SMILES CSC[C@@]1(C)CN(c2c1ncnc2N)c1ccc2oc(N)nc2c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The model for screening the inhibitory activity of the molecules on mTOR was developed with the LANTHASCREEN™ technology (Lifetechnologies). The reac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP78RQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613758 (3-(2-amino-6-chlorobenzoxazol-5-yl)- 1-((S)-1,2-di...) Show SMILES CC(C)[C@H](C)n1nc(-c2cc3nc(N)oc3cc2Cl)c2c(N)nc(N)nc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM582482 (5-(2-aminobenzoxazol-5-yl)-7-methyl-7-propyl-6, 7-...) Show SMILES CCCC1(C)CN(c2c1ncnc2N)c1ccc2oc(N)nc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The model for screening the inhibitory activity of the molecules on mTOR was developed with the LANTHASCREEN™ technology (Lifetechnologies). The reac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP78RQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50529398 (CHEMBL4549761 | US11731973, Example 31) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(Cl)nc(N)nc12 Show InChI InChI=1S/C15H14ClN7O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem		10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50529398 (CHEMBL4549761 | US11731973, Example 31) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(Cl)nc(N)nc12 Show InChI InChI=1S/C15H14ClN7O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	10	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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50529407 (CHEMBL4572049) Show SMILES CCCCn1nc(-c2ccc3oc(N)nc3c2)c2c(Cl)nc(N)nc12 Show InChI InChI=1S/C16H16ClN7O/c1-2-3-6-24-14-11(13(17)21-15(18)22-14)12(23-24)8-4-5-10-9(7-8)20-16(19)25-10/h4-5,7H,2-3,6H2,1H3,(H2,19,20)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM582478 (5-(2-aminobenzoxazol-5-yl)-7-isobutyl-6, 7-dihydro...) Show SMILES CC(C)CC1CN(c2c1ncnc2N)c1ccc2oc(N)nc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The model for screening the inhibitory activity of the molecules on mTOR was developed with the LANTHASCREEN™ technology (Lifetechnologies). The reac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP78RQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50529399 (CHEMBL4538004) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(F)nc(N)nc12 Show InChI InChI=1S/C15H14FN7O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613759 (3-(2-aminobenzoxazol-5-yl)-1- isopropyl-N*6*-methy...) Show SMILES CNc1nc(N)c2c(nn(C(C)C)c2n1)-c1ccc2oc(N)nc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		13.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613760 (5-(6-amino-4-methyl-1-neopentyl- 1H-pyrazolo[3,4-d...) Show SMILES Cc1nc(N)nc2n(CC(C)(C)C)nc(-c3ccc4oc(N)nc4c3)c12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		14.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50529404 (CHEMBL4441763) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c1nc(N)[nH]c2=O Show InChI InChI=1S/C15H15N7O2/c1-6(2)22-12-10(13(23)20-14(16)19-12)11(21-22)7-3-4-9-8(5-7)18-15(17)24-9/h3-6H,1-2H3,(H2,17,18)(H3,16,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50529405 (CHEMBL4588610) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(Br)nc(N)nc12 Show InChI InChI=1S/C15H14BrN7O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM613761 (3-(2-cyclopropylaminobenzoxazol-5- yl)-1-isopropyl...) Show SMILES CC(C)n1nc(-c2ccc3oc(NC4CC4)nc3c2)c2c(N)nc(N)nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26W9G6B
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (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	PDB Article PubMed	28	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				3D Structure (crystal)
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50529401 (CHEMBL4585005) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c1nc[nH]c2=O Show InChI InChI=1S/C15H14N6O2/c1-7(2)21-13-11(14(22)18-6-17-13)12(20-21)8-3-4-10-9(5-8)19-15(16)23-10/h3-7H,1-2H3,(H2,16,19)(H,17,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50529396 (CHEMBL4538629) Show SMILES CCCCn1nc(-c2ccc3oc(N)nc3c2)c2c(C)nc(N)nc12 Show InChI InChI=1S/C17H19N7O/c1-3-4-7-24-15-13(9(2)20-16(18)22-15)14(23-24)10-5-6-12-11(8-10)21-17(19)25-12/h5-6,8H,3-4,7H2,1-2H3,(H2,19,21)(H2,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM582480 (5-(2-aminobenzoxazol-5-yl)-7,7-diethyl-6, 7-dihydr...) Show SMILES CCC1(CC)CN(c2c1ncnc2N)c1ccc2oc(N)nc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	34.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The model for screening the inhibitory activity of the molecules on mTOR was developed with the LANTHASCREEN™ technology (Lifetechnologies). The reac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP78RQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM582481 (5-(2-aminobenzoxazol-5-yl)-7,7-dimethyl-6, 7-dihyd...) Show SMILES CC1(C)CN(c2c1ncnc2N)c1ccc2oc(N)nc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The model for screening the inhibitory activity of the molecules on mTOR was developed with the LANTHASCREEN™ technology (Lifetechnologies). The reac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XP78RQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50529402 (CHEMBL4517253) Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c1nc(C)[nH]c2=O Show InChI InChI=1S/C16H16N6O2/c1-7(2)22-14-12(15(23)19-8(3)18-14)13(21-22)9-4-5-11-10(6-9)20-16(17)24-11/h4-7H,1-3H3,(H2,17,20)(H,18,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	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

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