Compile Data Set for Download or QSAR

Found 9275 hits with Last Name = 'wood' and Initial = 'e'   

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))	BDBM50343775 ((S)-1-ethyl-3-(4-(7-(2-hydroxyethyl)-7-methyl-4-mo...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CCO)c(n1)N1CCOCC1 |r| Show InChI InChI=1S/C22H29N5O4/c1-3-23-21(29)24-16-6-4-15(5-7-16)19-25-18-17(14-31-22(18,2)8-11-28)20(26-19)27-9-12-30-13-10-27/h4-7,28H,3,8-14H2,1-2H3,(H2,23,24,29)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50113787 (CHEMBL81056 | S-(2-{2-[2-(4-Carbamimidoyl-phenoxy)...) Show SMILES NC(=N)c1ccc(OCC[C@@H]2CCCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 Show InChI InChI=1S/C25H38N4O4/c26-24(27)19-9-11-21(12-10-19)33-15-13-20-8-4-5-14-29(20)25(32)22(28-17-23(30)31)16-18-6-2-1-3-7-18/h9-12,18,20,22,28H,1-8,13-17H2,(H3,26,27)(H,30,31)/t20-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				J Med Chem 45: 2432-53 (2002) BindingDB Entry DOI: 10.7270/Q2S181VR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50428131 (CHEMBL2331687) Show SMILES C[C@H]1COCCN1c1nc(nc2CN(CCc12)c1ncccn1)-c1ccc(Nc2nccc(=O)[nH]2)cc1 |r| Show InChI InChI=1S/C26H27N9O2/c1-17-16-37-14-13-35(17)24-20-8-12-34(26-28-9-2-10-29-26)15-21(20)31-23(33-24)18-3-5-19(6-4-18)30-25-27-11-7-22(36)32-25/h2-7,9-11,17H,8,12-16H2,1H3,(H2,27,30,32,36)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant mTOR (1360 to 2549)+GBL (unknown origin) using GFP-4E-BP1 as substrate after 30 mins by FRET assay				ACS Med Chem Lett 4: 103-7 (2013) Article DOI: 10.1021/ml3003132 BindingDB Entry DOI: 10.7270/Q28C9XK3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50113790 (CHEMBL84389 | S-4-{2-[2-(1-Carbamimidoyl-piperidin...) Show SMILES CN([C@@H](CC(O)=O)C(=O)N1CCCC[C@H]1CCOC1CCN(CC1)C(N)=N)C1CCCCCC1 Show InChI InChI=1S/C25H45N5O4/c1-28(19-8-4-2-3-5-9-19)22(18-23(31)32)24(33)30-14-7-6-10-20(30)13-17-34-21-11-15-29(16-12-21)25(26)27/h19-22H,2-18H2,1H3,(H3,26,27)(H,31,32)/t20-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				J Med Chem 45: 2432-53 (2002) BindingDB Entry DOI: 10.7270/Q2S181VR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343776 (1-(4-((S)-4-((1R,5S)-8-oxa-3-azabicyclo[3.2.1]octa...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CCO)c(n1)N1C[C@@H]2CC[C@H](C1)O2 |r| Show InChI InChI=1S/C24H31N5O4/c1-3-25-23(31)26-16-6-4-15(5-7-16)21-27-20-19(14-32-24(20,2)10-11-30)22(28-21)29-12-17-8-9-18(13-29)33-17/h4-7,17-18,30H,3,8-14H2,1-2H3,(H2,25,26,31)/t17-,18+,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343774 (1-Ethyl-3-(4-((S)-7-(2-hydroxyethyl)-7-methyl-4-((...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CCO)c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C23H31N5O4/c1-4-24-22(30)25-17-7-5-16(6-8-17)20-26-19-18(14-32-23(19,3)9-11-29)21(27-20)28-10-12-31-13-15(28)2/h5-8,15,29H,4,9-14H2,1-3H3,(H2,24,25,30)/t15-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343769 ((S)-1-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-5,7-...) Show SMILES C[C@H]1COCCN1c1nc(nc2c1COC2(C)C)-c1ccc(NC(=O)Nc2cnn(C)c2)cc1 |r| Show InChI InChI=1S/C24H29N7O3/c1-15-13-33-10-9-31(15)22-19-14-34-24(2,3)20(19)28-21(29-22)16-5-7-17(8-6-16)26-23(32)27-18-11-25-30(4)12-18/h5-8,11-12,15H,9-10,13-14H2,1-4H3,(H2,26,27,32)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50113791 (CHEMBL84229 | S-4-{2-[2-(1-Carbamimidoyl-piperidin...) Show SMILES CN([C@@H](CC(O)=O)C(=O)N1CCCC[C@H]1CCOC1CCN(CC1)C(N)=N)C1CCC=CCC1 |c:32| Show InChI InChI=1S/C25H43N5O4/c1-28(19-8-4-2-3-5-9-19)22(18-23(31)32)24(33)30-14-7-6-10-20(30)13-17-34-21-11-15-29(16-12-21)25(26)27/h2-3,19-22H,4-18H2,1H3,(H3,26,27)(H,31,32)/t20-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				J Med Chem 45: 2432-53 (2002) BindingDB Entry DOI: 10.7270/Q2S181VR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50181451 (CHEMBL3818265) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCC3(F)CN(C)C3)c2n1 Show InChI InChI=1S/C26H26ClFN6O2/c1-16-5-4-9-33(23(16)35)18-6-7-19(21(27)12-18)20-11-17-13-30-25(29-2)31-22(17)34(24(20)36)10-8-26(28)14-32(3)15-26/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50113785 (CHEMBL309670 | RS-(2-{2-[2-(1-Carbamimidoyl-piperi...) Show SMILES NC(=N)N1CCC(CC1)OCCC1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O Show InChI InChI=1S/C24H43N5O4/c25-24(26)28-13-9-20(10-14-28)33-15-11-19-8-4-5-12-29(19)23(32)21(27-17-22(30)31)16-18-6-2-1-3-7-18/h18-21,27H,1-17H2,(H3,25,26)(H,30,31)/t19?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				J Med Chem 45: 2432-53 (2002) BindingDB Entry DOI: 10.7270/Q2S181VR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50430787 (CHEMBL2334764) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2[C@H]3CC[C@@H](Cc2c(n1)N1CCOC[C@@H]1C)N3S(C)(=O)=O |r,THB:31:30:19.14.20:17.16| Show InChI InChI=1S/C24H32N6O4S/c1-4-25-24(31)26-17-7-5-16(6-8-17)22-27-21-19(23(28-22)29-11-12-34-14-15(29)2)13-18-9-10-20(21)30(18)35(3,32)33/h5-8,15,18,20H,4,9-14H2,1-3H3,(H2,25,26,31)/t15-,18-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells assessed as inhibition of phosphorylation of (GFP)-4-EBP1 protein after 30 mins by flu...				J Med Chem 56: 3090-101 (2013) Article DOI: 10.1021/jm400194n BindingDB Entry DOI: 10.7270/Q2QJ7JNF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343772 (1-(4-((R)-7-(cyclopropylmethyl)-7-methyl-4-((S)-3-...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@]2(C)CC2CC2)c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C25H33N5O3/c1-4-26-24(31)27-19-9-7-18(8-10-19)22-28-21-20(15-33-25(21,3)13-17-5-6-17)23(29-22)30-11-12-32-14-16(30)2/h7-10,16-17H,4-6,11-15H2,1-3H3,(H2,26,27,31)/t16-,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343779 (1-(4-((R)-4-((1R,5S)-8-oxa-3-azabicyclo[3.2.1]octa...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@]2(C)CCO)c(n1)N1C[C@@H]2CC[C@H](C1)O2 |r| Show InChI InChI=1S/C24H31N5O4/c1-3-25-23(31)26-16-6-4-15(5-7-16)21-27-20-19(14-32-24(20,2)10-11-30)22(28-21)29-12-17-8-9-18(13-29)33-17/h4-7,17-18,30H,3,8-14H2,1-2H3,(H2,25,26,31)/t17-,18+,24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50113799 (CHEMBL309403 | S-4-{2-[2-(1-Carbamimidoyl-piperidi...) Show SMILES NC(=N)N1CCC(CC1)OCC[C@@H]1CCCCN1C(=O)[C@H](CC(O)=O)NC1CCCCCC1 Show InChI InChI=1S/C24H43N5O4/c25-24(26)28-14-10-20(11-15-28)33-16-12-19-9-5-6-13-29(19)23(32)21(17-22(30)31)27-18-7-3-1-2-4-8-18/h18-21,27H,1-17H2,(H3,25,26)(H,30,31)/t19-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				J Med Chem 45: 2432-53 (2002) BindingDB Entry DOI: 10.7270/Q2S181VR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343780 (1-methyl-4-(4-((R)-7-(2-cyanoethyl)-7-((S)-3-methy...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@]2(C)CCC#N)c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C24H30N6O3/c1-4-26-23(31)27-18-8-6-17(7-9-18)21-28-20-19(15-33-24(20,3)10-5-11-25)22(29-21)30-12-13-32-14-16(30)2/h6-9,16H,4-5,10,12-15H2,1-3H3,(H2,26,27,31)/t16-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343771 ((S)-6-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-5,7-...) Show SMILES C[C@H]1COCCN1c1nc(nc2c1COC2(C)C)-c1ccc(Nc2cccc(=O)[nH]2)cc1 |r| Show InChI InChI=1S/C24H27N5O3/c1-15-13-31-12-11-29(15)23-18-14-32-24(2,3)21(18)27-22(28-23)16-7-9-17(10-8-16)25-19-5-4-6-20(30)26-19/h4-10,15H,11-14H2,1-3H3,(H2,25,26,30)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343764 ((S)-1-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-5-ox...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(C(=O)OC2(C)C)c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C22H27N5O4/c1-5-23-21(29)24-15-8-6-14(7-9-15)18-25-17-16(20(28)31-22(17,3)4)19(26-18)27-10-11-30-12-13(27)2/h6-9,13H,5,10-12H2,1-4H3,(H2,23,24,29)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50430786 (CHEMBL2334765) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2[C@H]3CC[C@@H](Cc2c(n1)N1CCOC[C@@H]1C)N3C(C)=O |r,THB:31:30:19.14.20:17.16| Show InChI InChI=1S/C25H32N6O3/c1-4-26-25(33)27-18-7-5-17(6-8-18)23-28-22-20(13-19-9-10-21(22)31(19)16(3)32)24(29-23)30-11-12-34-14-15(30)2/h5-8,15,19,21H,4,9-14H2,1-3H3,(H2,26,27,33)/t15-,19-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells assessed as inhibition of phosphorylation of (GFP)-4-EBP1 protein after 30 mins by flu...				J Med Chem 56: 3090-101 (2013) Article DOI: 10.1021/jm400194n BindingDB Entry DOI: 10.7270/Q2QJ7JNF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50430784 (CHEMBL2334767) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2[C@H]3CC[C@@H](Cc2c(n1)N1CCOC[C@@H]1C)N3C(C)(C)C(=O)NC |r,THB:31:30:19.14.20:17.16| Show InChI InChI=1S/C28H39N7O3/c1-6-30-27(37)31-19-9-7-18(8-10-19)24-32-23-21(25(33-24)34-13-14-38-16-17(34)2)15-20-11-12-22(23)35(20)28(3,4)26(36)29-5/h7-10,17,20,22H,6,11-16H2,1-5H3,(H,29,36)(H2,30,31,37)/t17-,20-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells assessed as inhibition of phosphorylation of (GFP)-4-EBP1 protein after 30 mins by flu...				J Med Chem 56: 3090-101 (2013) Article DOI: 10.1021/jm400194n BindingDB Entry DOI: 10.7270/Q2QJ7JNF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50430790 (CHEMBL2334761) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2[C@H]3CC[C@@H](Cc2c(n1)N1CCOC[C@@H]1C)N3C |r,THB:31:30:19.14.20:17.16| Show InChI InChI=1S/C24H32N6O2/c1-4-25-24(31)26-17-7-5-16(6-8-17)22-27-21-19(13-18-9-10-20(21)29(18)3)23(28-22)30-11-12-32-14-15(30)2/h5-8,15,18,20H,4,9-14H2,1-3H3,(H2,25,26,31)/t15-,18-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells assessed as inhibition of phosphorylation of (GFP)-4-EBP1 protein after 30 mins by flu...				J Med Chem 56: 3090-101 (2013) Article DOI: 10.1021/jm400194n BindingDB Entry DOI: 10.7270/Q2QJ7JNF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50400337 (CHEMBL2181523) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1CC)c1ncccn1 |r| Show InChI InChI=1S/C26H32N8O2/c1-3-20-17-36-15-14-34(20)24-21-10-13-33(25-28-11-5-12-29-25)16-22(21)31-23(32-24)18-6-8-19(9-7-18)30-26(35)27-4-2/h5-9,11-12,20H,3-4,10,13-17H2,1-2H3,(H2,27,30,35)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR by FRET assay				J Med Chem 55: 10958-71 (2012) Article DOI: 10.1021/jm301389h BindingDB Entry DOI: 10.7270/Q2125TSR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343781 (1-(4-((S)-7-(2-cyanoethyl)-7-methyl-4-((S)-3-methy...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CCC#N)c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C24H30N6O3/c1-4-26-23(31)27-18-8-6-17(7-9-18)21-28-20-19(15-33-24(20,3)10-5-11-25)22(29-21)30-12-13-32-14-16(30)2/h6-9,16H,4-5,10,12-15H2,1-3H3,(H2,26,27,31)/t16-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50113794 (CHEMBL82658 | RS-4-{2-[2-(1-Carbamimidoyl-piperidi...) Show SMILES NC(=N)N1CCC(CC1)OCCC1CCCCN1C(=O)[C@H](CC(O)=O)NC1CCCCCCC1 Show InChI InChI=1S/C25H45N5O4/c26-25(27)29-15-11-21(12-16-29)34-17-13-20-10-6-7-14-30(20)24(33)22(18-23(31)32)28-19-8-4-2-1-3-5-9-19/h19-22,28H,1-18H2,(H3,26,27)(H,31,32)/t20?,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				J Med Chem 45: 2432-53 (2002) BindingDB Entry DOI: 10.7270/Q2S181VR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343773 (1-(4-((S)-7-(cyclopropylmethyl)-7-methyl-4-((S)-3-...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CC2CC2)c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C25H33N5O3/c1-4-26-24(31)27-19-9-7-18(8-10-19)22-28-21-20(15-33-25(21,3)13-17-5-6-17)23(29-22)30-11-12-32-14-16(30)2/h7-10,16-17H,4-6,11-15H2,1-3H3,(H2,26,27,31)/t16-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50400335 (CHEMBL2181525) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)c1cccnn1 |r| Show InChI InChI=1S/C25H30N8O2/c1-3-26-25(34)28-19-8-6-18(7-9-19)23-29-21-15-32(22-5-4-11-27-31-22)12-10-20(21)24(30-23)33-13-14-35-16-17(33)2/h4-9,11,17H,3,10,12-16H2,1-2H3,(H2,26,28,34)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR by FRET assay				J Med Chem 55: 10958-71 (2012) Article DOI: 10.1021/jm301389h BindingDB Entry DOI: 10.7270/Q2125TSR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343763 ((S)-1-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-5,7-...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(COC2(C)C)c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C22H29N5O3/c1-5-23-21(28)24-16-8-6-15(7-9-16)19-25-18-17(13-30-22(18,3)4)20(26-19)27-10-11-29-12-14(27)2/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,28)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50428125 (CHEMBL2331677) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)c1nccn1C |r| Show InChI InChI=1S/C25H32N8O2/c1-4-26-24(34)28-19-7-5-18(6-8-19)22-29-21-15-32(25-27-10-12-31(25)3)11-9-20(21)23(30-22)33-13-14-35-16-17(33)2/h5-8,10,12,17H,4,9,11,13-16H2,1-3H3,(H2,26,28,34)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant mTOR (1360 to 2549)+GBL (unknown origin) using GFP-4E-BP1 as substrate after 30 mins by FRET assay				ACS Med Chem Lett 4: 103-7 (2013) Article DOI: 10.1021/ml3003132 BindingDB Entry DOI: 10.7270/Q28C9XK3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50400338 (CHEMBL2181522) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)c1ncccn1 |r| Show InChI InChI=1S/C25H30N8O2/c1-3-26-25(34)29-19-7-5-18(6-8-19)22-30-21-15-32(24-27-10-4-11-28-24)12-9-20(21)23(31-22)33-13-14-35-16-17(33)2/h4-8,10-11,17H,3,9,12-16H2,1-2H3,(H2,26,29,34)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant mTOR (1360 to 2549)+GBL (unknown origin) using GFP-4E-BP1 as substrate after 30 mins by FRET assay				ACS Med Chem Lett 4: 103-7 (2013) Article DOI: 10.1021/ml3003132 BindingDB Entry DOI: 10.7270/Q28C9XK3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50430788 (CHEMBL2334763) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2[C@H]3CC[C@@H](Cc2c(n1)N1CCOC[C@@H]1C)N3C1COC1 |r,THB:31:30:19.14.20:17.16| Show InChI InChI=1S/C26H34N6O3/c1-3-27-26(33)28-18-6-4-17(5-7-18)24-29-23-21(25(30-24)31-10-11-34-13-16(31)2)12-19-8-9-22(23)32(19)20-14-35-15-20/h4-7,16,19-20,22H,3,8-15H2,1-2H3,(H2,27,28,33)/t16-,19-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells assessed as inhibition of phosphorylation of (GFP)-4-EBP1 protein after 30 mins by flu...				J Med Chem 56: 3090-101 (2013) Article DOI: 10.1021/jm400194n BindingDB Entry DOI: 10.7270/Q2QJ7JNF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50400338 (CHEMBL2181522) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)c1ncccn1 |r| Show InChI InChI=1S/C25H30N8O2/c1-3-26-25(34)29-19-7-5-18(6-8-19)22-30-21-15-32(24-27-10-4-11-28-24)12-9-20(21)23(31-22)33-13-14-35-16-17(33)2/h4-8,10-11,17H,3,9,12-16H2,1-2H3,(H2,26,29,34)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR by FRET assay				J Med Chem 55: 10958-71 (2012) Article DOI: 10.1021/jm301389h BindingDB Entry DOI: 10.7270/Q2125TSR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343766 ((S)-1-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-5,7-...) Show SMILES C[C@H]1COCCN1c1nc(nc2c1COC2(C)C)-c1ccc(NC(=O)NCCO)cc1 |r| Show InChI InChI=1S/C22H29N5O4/c1-14-12-30-11-9-27(14)20-17-13-31-22(2,3)18(17)25-19(26-20)15-4-6-16(7-5-15)24-21(29)23-8-10-28/h4-7,14,28H,8-13H2,1-3H3,(H2,23,24,29)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343784 (1-Ethyl-3-(4-((S)-7-(2-methoxyethyl)-7-methyl-4-((...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CCOC)c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C24H33N5O4/c1-5-25-23(30)26-18-8-6-17(7-9-18)21-27-20-19(15-33-24(20,3)10-12-31-4)22(28-21)29-11-13-32-14-16(29)2/h6-9,16H,5,10-15H2,1-4H3,(H2,25,26,30)/t16-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50400336 (CHEMBL2181524) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)c1cnccn1 |r| Show InChI InChI=1S/C25H30N8O2/c1-3-27-25(34)29-19-6-4-18(5-7-19)23-30-21-15-32(22-14-26-9-10-28-22)11-8-20(21)24(31-23)33-12-13-35-16-17(33)2/h4-7,9-10,14,17H,3,8,11-13,15-16H2,1-2H3,(H2,27,29,34)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR by FRET assay				J Med Chem 55: 10958-71 (2012) Article DOI: 10.1021/jm301389h BindingDB Entry DOI: 10.7270/Q2125TSR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343751 (1-ethyl-3-(4-((R)-7-(hydroxymethyl)-7-methyl-4-((S...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CO)c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C22H29N5O4/c1-4-23-21(29)24-16-7-5-15(6-8-16)19-25-18-17(12-31-22(18,3)13-28)20(26-19)27-9-10-30-11-14(27)2/h5-8,14,28H,4,9-13H2,1-3H3,(H2,23,24,29)/t14-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50113802 (5-{2-[2-(1-Carbamimidoyl-piperidin-4-yloxy)-ethyl]...) Show SMILES CN([C@@H](CCC(O)=O)C(=O)N1CCCC[C@H]1CCOC1CCN(CC1)C(N)=N)C1CCCCC1 Show InChI InChI=1S/C25H45N5O4/c1-28(19-7-3-2-4-8-19)22(10-11-23(31)32)24(33)30-15-6-5-9-20(30)14-18-34-21-12-16-29(17-13-21)25(26)27/h19-22H,2-18H2,1H3,(H3,26,27)(H,31,32)/t20-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				J Med Chem 45: 2432-53 (2002) BindingDB Entry DOI: 10.7270/Q2S181VR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343756 ((S)-1-ethyl-3-(4-(7-(2-hydroxy-2-methylpropyl)-7-m...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CC(C)(C)O)c(n1)N1CCOCC1 |r| Show InChI InChI=1S/C24H33N5O4/c1-5-25-22(30)26-17-8-6-16(7-9-17)20-27-19-18(14-33-24(19,4)15-23(2,3)31)21(28-20)29-10-12-32-13-11-29/h6-9,31H,5,10-15H2,1-4H3,(H2,25,26,30)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50148928 (CHEMBL3770909) Show SMILES CCNc1ncc2cc(-c3ccc(cc3Cl)-c3cncc(C)n3)c(=O)n(C[C@H]3CC[C@H](N)CC3)c2n1 |r,wU:27.28,wD:30.32,(-6.42,1.38,;-5.35,.76,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C27H30ClN7O/c1-3-31-27-32-13-19-10-22(21-9-6-18(11-23(21)28)24-14-30-12-16(2)33-24)26(36)35(25(19)34-27)15-17-4-7-20(29)8-5-17/h6,9-14,17,20H,3-5,7-8,15,29H2,1-2H3,(H,31,32,34)/t17-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ...				ACS Med Chem Lett 6: 1241-6 (2015) Article DOI: 10.1021/acsmedchemlett.5b00398 BindingDB Entry DOI: 10.7270/Q2MP554V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50148920 (CHEMBL3769478) Show SMILES CN[C@H]1CO[C@H](Cn2c3nc(NC)ncc3cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c2=O)OC1 |r,wU:2.1,wD:5.5,(6.68,-7.38,;6.68,-6.15,;5.34,-5.38,;4.01,-6.15,;2.68,-5.39,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-2.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;4,1.54,;5.33,.77,;6.66,1.53,;6.67,3.07,;5.33,3.85,;4,3.08,;2.93,3.7,;8,3.84,;9.34,3.07,;10.67,3.84,;10.67,5.38,;9.34,6.15,;9.34,7.39,;8,5.38,;2.66,-.77,;3.73,-1.38,;4,-3.07,;5.34,-3.84,)| Show InChI InChI=1S/C26H27ClN6O3/c1-15-5-4-6-22(31-15)16-7-8-19(21(27)10-16)20-9-17-11-30-26(29-3)32-24(17)33(25(20)34)12-23-35-13-18(28-2)14-36-23/h4-11,18,23,28H,12-14H2,1-3H3,(H,29,30,32)/t18-,23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ...				ACS Med Chem Lett 6: 1241-6 (2015) Article DOI: 10.1021/acsmedchemlett.5b00398 BindingDB Entry DOI: 10.7270/Q2MP554V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 2 (Homo sapiens (Human))	BDBM50181451 (CHEMBL3818265) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCC3(F)CN(C)C3)c2n1 Show InChI InChI=1S/C26H26ClFN6O2/c1-16-5-4-9-33(23(16)35)18-6-7-19(21(27)12-18)20-11-17-13-30-25(29-2)31-22(17)34(24(20)36)10-8-26(28)14-32(3)15-26/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50148927 (CHEMBL3770588) Show SMILES CCNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3CC[C@H](N)CC3)c2n1 |r,wU:27.28,wD:30.32,(-6.42,1.38,;-5.35,.76,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C28H31ClN6O/c1-3-31-28-32-15-20-13-23(22-12-9-19(14-24(22)29)25-6-4-5-17(2)33-25)27(36)35(26(20)34-28)16-18-7-10-21(30)11-8-18/h4-6,9,12-15,18,21H,3,7-8,10-11,16,30H2,1-2H3,(H,31,32,34)/t18-,21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ...				ACS Med Chem Lett 6: 1241-6 (2015) Article DOI: 10.1021/acsmedchemlett.5b00398 BindingDB Entry DOI: 10.7270/Q2MP554V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50430785 (CHEMBL2334766) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2[C@H]3CC[C@@H](Cc2c(n1)N1CCOC[C@@H]1C)N3C(=O)COC |r,THB:31:30:19.14.20:17.16| Show InChI InChI=1S/C26H34N6O4/c1-4-27-26(34)28-18-7-5-17(6-8-18)24-29-23-20(25(30-24)31-11-12-36-14-16(31)2)13-19-9-10-21(23)32(19)22(33)15-35-3/h5-8,16,19,21H,4,9-15H2,1-3H3,(H2,27,28,34)/t16-,19-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells assessed as inhibition of phosphorylation of (GFP)-4-EBP1 protein after 30 mins by flu...				J Med Chem 56: 3090-101 (2013) Article DOI: 10.1021/jm400194n BindingDB Entry DOI: 10.7270/Q2QJ7JNF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50113792 (CHEMBL81521 | S-4-{2-[2-(1-Carbamimidoyl-piperidin...) Show SMILES CN([C@@H](CC(O)=O)C(=O)N1CCCC[C@H]1CCOC1CCN(CC1)C(N)=N)C1CCCCC1 Show InChI InChI=1S/C24H43N5O4/c1-27(18-7-3-2-4-8-18)21(17-22(30)31)23(32)29-13-6-5-9-19(29)12-16-33-20-10-14-28(15-11-20)24(25)26/h18-21H,2-17H2,1H3,(H3,25,26)(H,30,31)/t19-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				J Med Chem 45: 2432-53 (2002) BindingDB Entry DOI: 10.7270/Q2S181VR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50400349 (CHEMBL2181651) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CCN(Cc2c(n1)N1CCOC[C@@H]1C)c1ncccn1 |r| Show InChI InChI=1S/C25H30N8O2/c1-3-26-25(34)29-19-7-5-18(6-8-19)22-30-21-9-12-32(24-27-10-4-11-28-24)15-20(21)23(31-22)33-13-14-35-16-17(33)2/h4-8,10-11,17H,3,9,12-16H2,1-2H3,(H2,26,29,34)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR by FRET assay				J Med Chem 55: 10958-71 (2012) Article DOI: 10.1021/jm301389h BindingDB Entry DOI: 10.7270/Q2125TSR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343755 (1-Ethyl-3-(4-((S)-7-(2-hydroxy-2-methylpropyl)-7-m...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(CO[C@@]2(C)CC(C)(C)O)c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C25H35N5O4/c1-6-26-23(31)27-18-9-7-17(8-10-18)21-28-20-19(14-34-25(20,5)15-24(3,4)32)22(29-21)30-11-12-33-13-16(30)2/h7-10,16,32H,6,11-15H2,1-5H3,(H2,26,27,31)/t16-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50400347 (CHEMBL2181653) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CCN(Cc2c(n1)N1CCOC[C@@H]1C)c1cnccn1 |r| Show InChI InChI=1S/C25H30N8O2/c1-3-27-25(34)29-19-6-4-18(5-7-19)23-30-21-8-11-32(22-14-26-9-10-28-22)15-20(21)24(31-23)33-12-13-35-16-17(33)2/h4-7,9-10,14,17H,3,8,11-13,15-16H2,1-2H3,(H2,27,29,34)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR by FRET assay				J Med Chem 55: 10958-71 (2012) Article DOI: 10.1021/jm301389h BindingDB Entry DOI: 10.7270/Q2125TSR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50428127 (CHEMBL2331689) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)c1ccnc(C)n1 |r| Show InChI InChI=1S/C26H32N8O2/c1-4-27-26(35)30-20-7-5-19(6-8-20)24-31-22-15-33(23-9-11-28-18(3)29-23)12-10-21(22)25(32-24)34-13-14-36-16-17(34)2/h5-9,11,17H,4,10,12-16H2,1-3H3,(H2,27,30,35)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant mTOR (1360 to 2549)+GBL (unknown origin) using GFP-4E-BP1 as substrate after 30 mins by FRET assay				ACS Med Chem Lett 4: 103-7 (2013) Article DOI: 10.1021/ml3003132 BindingDB Entry DOI: 10.7270/Q28C9XK3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50430791 (CHEMBL2334758) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2C[C@@H]3CC[C@@H](N3S(C)(=O)=O)c2c(n1)N1CCOC[C@@H]1C |r,THB:21:20:14.25.15:18.17| Show InChI InChI=1S/C24H32N6O4S/c1-4-25-24(31)26-17-7-5-16(6-8-17)22-27-19-13-18-9-10-20(30(18)35(3,32)33)21(19)23(28-22)29-11-12-34-14-15(29)2/h5-8,15,18,20H,4,9-14H2,1-3H3,(H2,25,26,31)/t15-,18-,20+/m0/s1	PDB MMDB NCI pathway 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
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells assessed as inhibition of phosphorylation of (GFP)-4-EBP1 protein after 30 mins by flu...				J Med Chem 56: 3090-101 (2013) Article DOI: 10.1021/jm400194n BindingDB Entry DOI: 10.7270/Q2QJ7JNF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50343765 (1-(4-(7,7-Dimethyl-4-morpholino-5-oxo-5,7-dihydrof...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2c(C(=O)OC2(C)C)c(n1)N1CCOCC1 Show InChI InChI=1S/C21H25N5O4/c1-4-22-20(28)23-14-7-5-13(6-8-14)17-24-16-15(19(27)30-21(16,2)3)18(25-17)26-9-11-29-12-10-26/h5-8H,4,9-12H2,1-3H3,(H2,22,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay				J Med Chem 54: 3426-35 (2011) Article DOI: 10.1021/jm200215y BindingDB Entry DOI: 10.7270/Q29C6XRH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50181449 (CHEMBL3817856) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CC3CCNCC3(F)F)c2n1 Show InChI InChI=1S/C26H25ClF2N6O2/c1-15-4-3-9-34(23(15)36)18-5-6-19(21(27)11-18)20-10-16-12-32-25(30-2)33-22(16)35(24(20)37)13-17-7-8-31-14-26(17,28)29/h3-6,9-12,17,31H,7-8,13-14H2,1-2H3,(H,30,32,33)	PDB UniProtKB/SwissProt 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
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50428136 (CHEMBL2331682) Show SMILES FCCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOCC1)c1ncccn1 Show InChI InChI=1S/C24H27FN8O2/c25-7-10-28-24(34)29-18-4-2-17(3-5-18)21-30-20-16-33(23-26-8-1-9-27-23)11-6-19(20)22(31-21)32-12-14-35-15-13-32/h1-5,8-9H,6-7,10-16H2,(H2,28,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant mTOR (1360 to 2549)+GBL (unknown origin) using GFP-4E-BP1 as substrate after 30 mins by FRET assay				ACS Med Chem Lett 4: 103-7 (2013) Article DOI: 10.1021/ml3003132 BindingDB Entry DOI: 10.7270/Q28C9XK3
					More data for this Ligand-Target Pair

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