Compile Data Set for Download or QSAR

Found 1773 hits with Last Name = 'hebeisen' and Initial = 'p'   

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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50169264 ((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12 Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd. Curated by ChEMBL					Assay Description Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand				Bioorg Med Chem Lett 15: 3604-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.074 BindingDB Entry DOI: 10.7270/Q2GQ6X87
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50169264 ((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12 Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1207-11 (2006) Article DOI: 10.1016/j.bmcl.2005.11.083 BindingDB Entry DOI: 10.7270/Q21R6Q3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50179077 ((4R,9aR)-6-bromo-4-methyl-1,2,3,4,9,9a-hexahydro-2...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Br)nc3N12 Show InChI InChI=1S/C11H14BrN3/c1-7-5-13-6-9-4-8-2-3-10(12)14-11(8)15(7)9/h2-3,7,9,13H,4-6H2,1H3/t7-,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1207-11 (2006) Article DOI: 10.1016/j.bmcl.2005.11.083 BindingDB Entry DOI: 10.7270/Q21R6Q3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50169263 ((4R,10aR)-4,7-Dimethyl-1,2,3,4,10,10a-hexahydro-py...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(C)cc3N12 Show InChI InChI=1S/C13H18N2/c1-9-3-4-11-6-12-8-14-7-10(2)15(12)13(11)5-9/h3-5,10,12,14H,6-8H2,1-2H3/t10-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd. Curated by ChEMBL					Assay Description Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand				Bioorg Med Chem Lett 15: 3604-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.074 BindingDB Entry DOI: 10.7270/Q2GQ6X87
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50169266 ((4R,10aR)-4-Methyl-7-trifluoromethyl-1,2,3,4,10,10...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(cc3N12)C(F)(F)F Show InChI InChI=1S/C13H15F3N2/c1-8-6-17-7-11-4-9-2-3-10(13(14,15)16)5-12(9)18(8)11/h2-3,5,8,11,17H,4,6-7H2,1H3/t8-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd. Curated by ChEMBL					Assay Description Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand				Bioorg Med Chem Lett 15: 3604-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.074 BindingDB Entry DOI: 10.7270/Q2GQ6X87
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50169267 ((R)-7-Chloro-6-methyl-1,2,3,4,10,10a-hexahydro-pyr...) Show SMILES Cc1c2N3CCNC[C@H]3Cc2ccc1Cl Show InChI InChI=1S/C12H15ClN2/c1-8-11(13)3-2-9-6-10-7-14-4-5-15(10)12(8)9/h2-3,10,14H,4-7H2,1H3/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd. Curated by ChEMBL					Assay Description Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand				Bioorg Med Chem Lett 15: 3604-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.074 BindingDB Entry DOI: 10.7270/Q2GQ6X87
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50179080 ((4R,9aR)-6-chloro-4-methyl-1,2,3,4,9,9a-hexahydro-...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)nc3N12 Show InChI InChI=1S/C11H14ClN3/c1-7-5-13-6-9-4-8-2-3-10(12)14-11(8)15(7)9/h2-3,7,9,13H,4-6H2,1H3/t7-,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1207-11 (2006) Article DOI: 10.1016/j.bmcl.2005.11.083 BindingDB Entry DOI: 10.7270/Q21R6Q3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50169259 ((4R,10aR)-4,6,7-Trimethyl-1,2,3,4,10,10a-hexahydro...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(C)c(C)c3N12 Show InChI InChI=1S/C14H20N2/c1-9-4-5-12-6-13-8-15-7-10(2)16(13)14(12)11(9)3/h4-5,10,13,15H,6-8H2,1-3H3/t10-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd. Curated by ChEMBL					Assay Description Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand				Bioorg Med Chem Lett 15: 3604-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.074 BindingDB Entry DOI: 10.7270/Q2GQ6X87
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50169261 ((4R,10aS)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...) Show SMILES C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)c(C)c3N12 Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1207-11 (2006) Article DOI: 10.1016/j.bmcl.2005.11.083 BindingDB Entry DOI: 10.7270/Q21R6Q3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50169261 ((4R,10aS)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...) Show SMILES C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)c(C)c3N12 Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd. Curated by ChEMBL					Assay Description Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand				Bioorg Med Chem Lett 15: 3604-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.074 BindingDB Entry DOI: 10.7270/Q2GQ6X87
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50515198 (CHEMBL4445573) Show SMILES C[C@H]1COCCN1c1nc(nc(n1)-c1cnc(N)nc1C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C17H22F2N8O2/c1-10-9-29-7-4-27(10)17-24-14(11-8-21-15(20)22-12(11)13(18)19)23-16(25-17)26-2-5-28-6-3-26/h8,10,13H,2-7,9H2,1H3,(H2,20,21,22)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer314 from recombinant N-terminal His6-tagged PI3K p110alpha (unknown origin) incubated for 1 hr by FR...				J Med Chem 62: 6241-6261 (2019) Article DOI: 10.1021/acs.jmedchem.9b00525 BindingDB Entry DOI: 10.7270/Q29G5R5G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50515212 (CHEMBL4515766) Show SMILES C[C@H]1COCCN1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)F |r| Show InChI InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)14-8-13(12-9-22-17(21)25-15(12)16(19)20)23-18(24-14)26-2-5-28-6-3-26/h8-9,11,16H,2-7,10H2,1H3,(H2,21,22,25)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer314 from recombinant N-terminal His6-tagged PI3K p110alpha (unknown origin) incubated for 1 hr by FR...				J Med Chem 62: 6241-6261 (2019) Article DOI: 10.1021/acs.jmedchem.9b00525 BindingDB Entry DOI: 10.7270/Q29G5R5G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50546183 (CHEMBL4744705) Show SMILES Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of alexa fluor 647-labeled kinase tracer 314 from recombinant N-terminal His6-tagged p110alpha (unknown origin) by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00333 BindingDB Entry DOI: 10.7270/Q2VT1WPR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50179087 ((4R,9aR)-6-[1-((S)-ethoxy)-ethyl]-4-methyl-1,2,3,4...) Show SMILES CCO[C@@H](C)c1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1 Show InChI InChI=1S/C15H23N3O/c1-4-19-11(3)14-6-5-12-7-13-9-16-8-10(2)18(13)15(12)17-14/h5-6,10-11,13,16H,4,7-9H2,1-3H3/t10-,11+,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1207-11 (2006) Article DOI: 10.1016/j.bmcl.2005.11.083 BindingDB Entry DOI: 10.7270/Q21R6Q3T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50505407 (CHEMBL4436124) Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)nc3)N1CCOC2 |r| Show InChI InChI=1S/C18H23N7O2/c1-11-9-26-4-2-24(11)16-14-6-13-10-27-5-3-25(13)17(14)23-15(22-16)12-7-20-18(19)21-8-12/h7-8,11,13H,2-6,9-10H2,1H3,(H2,19,20,21)/t11-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50169264 ((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12 Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd. Curated by ChEMBL					Assay Description Binding affinity toward 5-HT2A receptor evaluated by displacement of [125I]-DOI radioligand				Bioorg Med Chem Lett 15: 3604-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.074 BindingDB Entry DOI: 10.7270/Q2GQ6X87
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50169268 ((4R,10aR)-4,6-Dimethyl-1,2,3,4,10,10a-hexahydro-py...) Show SMILES C[C@@H]1CNC[C@H]2Cc3cccc(C)c3N12 Show InChI InChI=1S/C13H18N2/c1-9-4-3-5-11-6-12-8-14-7-10(2)15(12)13(9)11/h3-5,10,12,14H,6-8H2,1-2H3/t10-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd. Curated by ChEMBL					Assay Description Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand				Bioorg Med Chem Lett 15: 3604-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.074 BindingDB Entry DOI: 10.7270/Q2GQ6X87
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50169264 ((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12 Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1207-11 (2006) Article DOI: 10.1016/j.bmcl.2005.11.083 BindingDB Entry DOI: 10.7270/Q21R6Q3T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50546184 (CHEMBL4758284) Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)nc1C(F)F)N1CCOCC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of alexa fluor 647-labeled kinase tracer 314 from recombinant N-terminal His6-tagged p110alpha (unknown origin) by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00333 BindingDB Entry DOI: 10.7270/Q2VT1WPR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50179086 ((4R,9aR)-4,6-dimethyl-1,2,3,4,9,9a-hexahydro-2,4a,...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(C)nc3N12 Show InChI InChI=1S/C12H17N3/c1-8-3-4-10-5-11-7-13-6-9(2)15(11)12(10)14-8/h3-4,9,11,13H,5-7H2,1-2H3/t9-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1207-11 (2006) Article DOI: 10.1016/j.bmcl.2005.11.083 BindingDB Entry DOI: 10.7270/Q21R6Q3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50169264 ((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12 Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd. Curated by ChEMBL					Assay Description Binding affinity toward 5-HT2B receptor evaluated by displacement of [3H]-5-HT radioligand				Bioorg Med Chem Lett 15: 3604-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.074 BindingDB Entry DOI: 10.7270/Q2GQ6X87
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50169264 ((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12 Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-5HT from human recombinant 5HT2B receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1207-11 (2006) Article DOI: 10.1016/j.bmcl.2005.11.083 BindingDB Entry DOI: 10.7270/Q21R6Q3T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469484 (CHEMBL4279881) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CCOCC1 Show InChI InChI=1S/C19H23F2N7O2/c20-16(21)13-7-15(22)23-8-14(13)17-24-18(27-3-5-29-6-4-27)26-19(25-17)28-9-11-1-2-12(10-28)30-11/h7-8,11-12,16H,1-6,9-10H2,(H2,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50546185 (CHEMBL4749136) Show SMILES [H][C@]12CC[C@]([H])(COC1)N2c1nc(nc(n1)-c1cnc(N)nc1C(F)F)N1CCOCC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of alexa fluor 647-labeled kinase tracer 314 from recombinant N-terminal His6-tagged p110alpha (unknown origin) by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00333 BindingDB Entry DOI: 10.7270/Q2VT1WPR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469481 (CHEMBL4277247) Show SMILES C[C@H]1COC[C@@H](C)N1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1[C@@H](C)COC[C@H]1C |r| Show InChI InChI=1S/C21H29F2N7O2/c1-11-7-31-8-12(2)29(11)20-26-19(16-6-25-17(24)5-15(16)18(22)23)27-21(28-20)30-13(3)9-32-10-14(30)4/h5-6,11-14,18H,7-10H2,1-4H3,(H2,24,25)/t11-,12+,13-,14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50179073 ((4R,9aR)-6-Cyclopropylmethoxymethyl-4-methyl-1,2,3...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12 Show InChI InChI=1S/C16H23N3O/c1-11-7-17-8-15-6-13-4-5-14(18-16(13)19(11)15)10-20-9-12-2-3-12/h4-5,11-12,15,17H,2-3,6-10H2,1H3/t11-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1207-11 (2006) Article DOI: 10.1016/j.bmcl.2005.11.083 BindingDB Entry DOI: 10.7270/Q21R6Q3T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50559193 (CHEMBL4749352) Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1[C@@H](C)COC[C@H]1C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00620 BindingDB Entry DOI: 10.7270/Q2SN0DNS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50169258 ((4R,10aR)-4-Methyl-1,2,3,4,10,10a-hexahydro-pyrazi...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(cc3N12)C#N Show InChI InChI=1S/C13H15N3/c1-9-7-15-8-12-5-11-3-2-10(6-14)4-13(11)16(9)12/h2-4,9,12,15H,5,7-8H2,1H3/t9-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd. Curated by ChEMBL					Assay Description Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand				Bioorg Med Chem Lett 15: 3604-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.074 BindingDB Entry DOI: 10.7270/Q2GQ6X87
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50515209 (CHEMBL4472639) Show SMILES C[C@H]1COCCN1c1nc(nc(n1)-c1cnc(N)nc1C(F)(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C17H21F3N8O2/c1-10-9-30-7-4-28(10)16-25-13(24-15(26-16)27-2-5-29-6-3-27)11-8-22-14(21)23-12(11)17(18,19)20/h8,10H,2-7,9H2,1H3,(H2,21,22,23)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer314 from recombinant N-terminal His6-tagged PI3K p110alpha (unknown origin) incubated for 1 hr by FR...				J Med Chem 62: 6241-6261 (2019) Article DOI: 10.1021/acs.jmedchem.9b00525 BindingDB Entry DOI: 10.7270/Q29G5R5G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50515217 (CHEMBL4516236) Show SMILES C[C@H]1COCCN1c1nc(cc(n1)-c1cnc(N)nc1C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)18-23-13(8-14(24-18)26-2-5-28-6-3-26)12-9-22-17(21)25-15(12)16(19)20/h8-9,11,16H,2-7,10H2,1H3,(H2,21,22,25)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer314 from recombinant N-terminal His6-tagged PI3K p110alpha (unknown origin) incubated for 1 hr by FR...				J Med Chem 62: 6241-6261 (2019) Article DOI: 10.1021/acs.jmedchem.9b00525 BindingDB Entry DOI: 10.7270/Q29G5R5G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50546186 (CHEMBL4754767) Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1nc(nc(n1)-c1cnc(N)nc1C(F)F)N1CCOCC1)O2 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of alexa fluor 647-labeled kinase tracer 314 from recombinant N-terminal His6-tagged p110alpha (unknown origin) by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00333 BindingDB Entry DOI: 10.7270/Q2VT1WPR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50559197 (CHEMBL4741511) Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC1(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00620 BindingDB Entry DOI: 10.7270/Q2SN0DNS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50169267 ((R)-7-Chloro-6-methyl-1,2,3,4,10,10a-hexahydro-pyr...) Show SMILES Cc1c2N3CCNC[C@H]3Cc2ccc1Cl Show InChI InChI=1S/C12H15ClN2/c1-8-11(13)3-2-9-6-10-7-14-4-5-15(10)12(8)9/h2-3,10,14H,4-7H2,1H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd. Curated by ChEMBL					Assay Description Binding affinity toward 5-HT2A receptor evaluated by displacement of [125I]-DOI radioligand				Bioorg Med Chem Lett 15: 3604-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.074 BindingDB Entry DOI: 10.7270/Q2GQ6X87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50559194 (CHEMBL4777159) Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1[C@@H](C)COC[C@@H]1C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00620 BindingDB Entry DOI: 10.7270/Q2SN0DNS
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50515203 (CHEMBL4515950) Show SMILES C[C@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)(F)F)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C19H24F3N7O2/c1-11-9-30-5-3-28(11)17-25-16(13-8-24-15(23)7-14(13)19(20,21)22)26-18(27-17)29-4-6-31-10-12(29)2/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,23,24)/t11-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer314 from recombinant N-terminal His6-tagged PI3K p110alpha (unknown origin) incubated for 1 hr by FR...				J Med Chem 62: 6241-6261 (2019) Article DOI: 10.1021/acs.jmedchem.9b00525 BindingDB Entry DOI: 10.7270/Q29G5R5G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469473 (CHEMBL4280087) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H21F2N7O2/c18-14(19)11-9-13(20)21-10-12(11)15-22-16(25-1-5-27-6-2-25)24-17(23-15)26-3-7-28-8-4-26/h9-10,14H,1-8H2,(H2,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50515201 (CHEMBL4453693) Show SMILES C[C@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)18-24-16(13-9-22-14(21)8-12(13)15(19)20)23-17(25-18)26-2-5-28-6-3-26/h8-9,11,15H,2-7,10H2,1H3,(H2,21,22)/t11-/m0/s1	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	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer314 from recombinant human C-terminal GST-tagged mTOR (1360 to 2549 amino acids) expressed in insect...				J Med Chem 62: 6241-6261 (2019) Article DOI: 10.1021/acs.jmedchem.9b00525 BindingDB Entry DOI: 10.7270/Q29G5R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50169266 ((4R,10aR)-4-Methyl-7-trifluoromethyl-1,2,3,4,10,10...) Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(cc3N12)C(F)(F)F Show InChI InChI=1S/C13H15F3N2/c1-8-6-17-7-11-4-9-2-3-10(13(14,15)16)5-12(9)18(8)11/h2-3,5,8,11,17H,4,6-7H2,1H3/t8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd. Curated by ChEMBL					Assay Description Binding affinity toward 5-HT2A receptor evaluated by displacement of [125I]-DOI radioligand				Bioorg Med Chem Lett 15: 3604-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.074 BindingDB Entry DOI: 10.7270/Q2GQ6X87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50505410 (CHEMBL4551080) Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)cn3)N1CCOC2 |r| Show InChI InChI=1S/C18H23N7O2/c1-11-9-26-4-2-24(11)17-13-6-12-10-27-5-3-25(12)18(13)23-16(22-17)14-7-21-15(19)8-20-14/h7-8,11-12H,2-6,9-10H2,1H3,(H2,19,21)/t11-,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469476 (CHEMBL4287799) Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)18-24-16(13-9-22-14(21)8-12(13)15(19)20)23-17(25-18)26-2-5-28-6-3-26/h8-9,11,15H,2-7,10H2,1H3,(H2,21,22)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00620 BindingDB Entry DOI: 10.7270/Q2SN0DNS
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50240973 (CHEMBL4102855) Show SMILES Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C16H19F3N8O2/c17-16(18,19)11-10(9-21-13(20)22-11)12-23-14(26-1-5-28-6-2-26)25-15(24-12)27-3-7-29-8-4-27/h9H,1-8H2,(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50562004 (CHEMBL4752187) Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3nnc(N)s3)N1CCOC2 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant N-terminal GST-fused mTOR (1360 to 2549 residues) (unknown origin) by ...				Citation and Details Article DOI: 10.1039/d0md00408a BindingDB Entry DOI: 10.7270/Q25T3Q6Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50515214 (CHEMBL4457600) Show SMILES C[C@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C18H22F3N7O2/c1-11-10-30-7-4-28(11)17-25-15(24-16(26-17)27-2-5-29-6-3-27)12-9-23-14(22)8-13(12)18(19,20)21/h8-9,11H,2-7,10H2,1H3,(H2,22,23)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer314 from recombinant N-terminal His6-tagged PI3K p110alpha (unknown origin) incubated for 1 hr by FR...				J Med Chem 62: 6241-6261 (2019) Article DOI: 10.1021/acs.jmedchem.9b00525 BindingDB Entry DOI: 10.7270/Q29G5R5G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50505421 (CHEMBL4458426) Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@@H]3C)-c3ccc(N)nc3)N1CCOC2 |r| Show InChI InChI=1S/C19H24N6O2/c1-12-10-26-6-4-24(12)18-15-8-14-11-27-7-5-25(14)19(15)23-17(22-18)13-2-3-16(20)21-9-13/h2-3,9,12,14H,4-8,10-11H2,1H3,(H2,20,21)/t12-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972 BindingDB Entry DOI: 10.7270/Q2DJ5JW1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50169269 ((4R,10aS)-4,6,7-Trimethyl-1,2,3,4,10,10a-hexahydro...) Show SMILES C[C@@H]1CNC[C@@H]2Cc3ccc(C)c(C)c3N12 Show InChI InChI=1S/C14H20N2/c1-9-4-5-12-6-13-8-15-7-10(2)16(13)14(12)11(9)3/h4-5,10,13,15H,6-8H2,1-3H3/t10-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd. Curated by ChEMBL					Assay Description Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand				Bioorg Med Chem Lett 15: 3604-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.074 BindingDB Entry DOI: 10.7270/Q2GQ6X87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469476 (CHEMBL4287799) Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)18-24-16(13-9-22-14(21)8-12(13)15(19)20)23-17(25-18)26-2-5-28-6-3-26/h8-9,11,15H,2-7,10H2,1H3,(H2,21,22)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50240989 (CHEMBL4081904) Show SMILES CC(=O)Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C19H22F3N7O3/c1-12(30)24-15-10-14(19(20,21)22)13(11-23-15)16-25-17(28-2-6-31-7-3-28)27-18(26-16)29-4-8-32-9-5-29/h10-11H,2-9H2,1H3,(H,23,24,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50169267 ((R)-7-Chloro-6-methyl-1,2,3,4,10,10a-hexahydro-pyr...) Show SMILES Cc1c2N3CCNC[C@H]3Cc2ccc1Cl Show InChI InChI=1S/C12H15ClN2/c1-8-11(13)3-2-9-6-10-7-14-4-5-15(10)12(8)9/h2-3,10,14H,4-7H2,1H3/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Research Ltd. Curated by ChEMBL					Assay Description Binding affinity toward 5-HT2B receptor evaluated by displacement of [3H]-5-HT radioligand				Bioorg Med Chem Lett 15: 3604-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.074 BindingDB Entry DOI: 10.7270/Q2GQ6X87
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50515210 (CHEMBL4568077) Show SMILES C[C@H]1COCCN1c1nc(cc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C19H24F2N6O2/c1-12-11-29-7-4-27(12)19-24-15(9-17(25-19)26-2-5-28-6-3-26)14-10-23-16(22)8-13(14)18(20)21/h8-10,12,18H,2-7,11H2,1H3,(H2,22,23)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer314 from recombinant human C-terminal GST-tagged mTOR (1360 to 2549 amino acids) expressed in insect...				J Med Chem 62: 6241-6261 (2019) Article DOI: 10.1021/acs.jmedchem.9b00525 BindingDB Entry DOI: 10.7270/Q29G5R5G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50469454 (CHEMBL4279445) Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2 Show InChI InChI=1S/C19H23F2N7O2/c20-16(21)13-7-15(22)23-8-14(13)17-24-18(27-3-5-29-6-4-27)26-19(25-17)28-11-1-2-12(28)10-30-9-11/h7-8,11-12,16H,1-6,9-10H2,(H2,22,23)	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
University of Basel Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...				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

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