Compile Data Set for Download or QSAR

Found 2945 hits with Last Name = 'jessen' and Initial = 'k'   

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
MAP kinase-interacting serine/threonine-protein kinase 1/2 (Homo sapiens (Human))	BDBM50263270 (CHEMBL4086747) Show SMILES Nc1ncnc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)c1Cl Show InChI InChI=1S/C16H16Cl2N6O2/c17-8-6-9(22-13-10(18)12(19)20-7-21-13)15(26)24-11(8)14(25)23-16(24)4-2-1-3-5-16/h6-7H,1-5H2,(H,23,25)(H3,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0840	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of MNK1/2 in human HCT116 cells assessed as decrease in eIF4E phosphorylation at Ser209 after 2 hrs by HTRF assay				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50263254 (CHEMBL4094975) Show SMILES Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCC4)n3c2=O)ncn1 Show InChI InChI=1S/C15H15ClN6O2/c16-8-5-9(20-11-6-10(17)18-7-19-11)14(24)22-12(8)13(23)21-15(22)3-1-2-4-15/h5-7H,1-4H2,(H,21,23)(H3,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal GST-tagged recombinant human MNK2 expressed in baculovirus expression system using Ac-TATKSGSTTKNR-NH2 as substr...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50263253 (CHEMBL4067557) Show SMILES CC1(C)NC(=O)c2c(Cl)cc(Nc3cc(N)ncn3)c(=O)n12 Show InChI InChI=1S/C13H13ClN6O2/c1-13(2)19-11(21)10-6(14)3-7(12(22)20(10)13)18-9-4-8(15)16-5-17-9/h3-5H,1-2H3,(H,19,21)(H3,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal GST-tagged recombinant human MNK2 expressed in baculovirus expression system using Ac-TATKSGSTTKNR-NH2 as substr...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2 (Homo sapiens (Human))	BDBM168214 (US9669031, 207 6′-((6-aminopyrimidin-4-yl)am...) Show SMILES Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1 Show InChI InChI=1S/C20H21ClN6O3/c21-12-8-13(24-14-9-15(23-10-22-14)25-17(28)11-4-5-11)19(30)27-16(12)18(29)26-20(27)6-2-1-3-7-20/h8-11H,1-7H2,(H,26,29)(H2,22,23,24,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of MNK1/2 in human HCT116 cells assessed as decrease in eIF4E phosphorylation at Ser209 after 2 hrs by HTRF assay				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50263270 (CHEMBL4086747) Show SMILES Nc1ncnc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)c1Cl Show InChI InChI=1S/C16H16Cl2N6O2/c17-8-6-9(22-13-10(18)12(19)20-7-21-13)15(26)24-11(8)14(25)23-16(24)4-2-1-3-5-16/h6-7H,1-5H2,(H,23,25)(H3,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal GST-tagged recombinant human MNK2 expressed in baculovirus expression system using Ac-TATKSGSTTKNR-NH2 as substr...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM168214 (US9669031, 207 6′-((6-aminopyrimidin-4-yl)am...) Show SMILES Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1 Show InChI InChI=1S/C20H21ClN6O3/c21-12-8-13(24-14-9-15(23-10-22-14)25-17(28)11-4-5-11)19(30)27-16(12)18(29)26-20(27)6-2-1-3-7-20/h8-11H,1-7H2,(H,26,29)(H2,22,23,24,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2 (Homo sapiens (Human))	BDBM50263254 (CHEMBL4094975) Show SMILES Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCC4)n3c2=O)ncn1 Show InChI InChI=1S/C15H15ClN6O2/c16-8-5-9(20-11-6-10(17)18-7-19-11)14(24)22-12(8)13(23)21-15(22)3-1-2-4-15/h5-7H,1-4H2,(H,21,23)(H3,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of MNK1/2 in human HCT116 cells assessed as decrease in eIF4E phosphorylation at Ser209 after 2 hrs by HTRF assay				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50263269 (CHEMBL4076439) Show SMILES Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1 Show InChI InChI=1S/C16H17ClN6O2/c17-9-6-10(21-12-7-11(18)19-8-20-12)15(25)23-13(9)14(24)22-16(23)4-2-1-3-5-16/h6-8H,1-5H2,(H,22,24)(H3,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50263269 (CHEMBL4076439) Show SMILES Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1 Show InChI InChI=1S/C16H17ClN6O2/c17-9-6-10(21-12-7-11(18)19-8-20-12)15(25)23-13(9)14(24)22-16(23)4-2-1-3-5-16/h6-8H,1-5H2,(H,22,24)(H3,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal GST-tagged recombinant human MNK2 expressed in baculovirus expression system using Ac-TATKSGSTTKNR-NH2 as substr...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2 (Homo sapiens (Human))	BDBM50263269 (CHEMBL4076439) Show SMILES Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1 Show InChI InChI=1S/C16H17ClN6O2/c17-9-6-10(21-12-7-11(18)19-8-20-12)15(25)23-13(9)14(24)22-16(23)4-2-1-3-5-16/h6-8H,1-5H2,(H,22,24)(H3,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of MNK1/2 in human HCT116 cells assessed as decrease in eIF4E phosphorylation at Ser209 after 2 hrs by HTRF assay				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50263254 (CHEMBL4094975) Show SMILES Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCC4)n3c2=O)ncn1 Show InChI InChI=1S/C15H15ClN6O2/c16-8-5-9(20-11-6-10(17)18-7-19-11)14(24)22-12(8)13(23)21-15(22)3-1-2-4-15/h5-7H,1-4H2,(H,21,23)(H3,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50263263 (CHEMBL4073443) Show SMILES Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1 Show InChI InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal GST-tagged recombinant human MNK2 expressed in baculovirus expression system using Ac-TATKSGSTTKNR-NH2 as substr...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50263255 (CHEMBL4065802) Show SMILES Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1 Show InChI InChI=1S/C17H18F2N6O2/c1-9-6-10(23-12-7-11(20)21-8-22-12)15(27)25-13(9)14(26)24-17(25)4-2-16(18,19)3-5-17/h6-8H,2-5H2,1H3,(H,24,26)(H3,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal GST-tagged recombinant human MNK2 expressed in baculovirus expression system using Ac-TATKSGSTTKNR-NH2 as substr...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM168222 (US9669031, 51 N-[6-[[8-chloro-3-(3-chlorophenyl)-3...) Show SMILES CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(Cl)c1 Show InChI InChI=1S/C22H18Cl2N6O3/c1-22(12-3-2-4-13(23)7-12)29-20(32)18-14(24)8-15(21(33)30(18)22)27-16-9-17(26-10-25-16)28-19(31)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,29,32)(H2,25,26,27,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal GST-tagged recombinant human MNK2 expressed in baculovirus expression system using Ac-TATKSGSTTKNR-NH2 as substr...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM168216 (US9669031, 181 3,3-dimethyl-1,5-dioxo-6-(pyrimidin...) Show SMILES CC1(C)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12 Show InChI InChI=1S/C13H12ClN5O2/c1-13(2)18-11(20)10-7(14)5-8(12(21)19(10)13)17-9-3-4-15-6-16-9/h3-6H,1-2H3,(H,18,20)(H,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal GST-tagged recombinant human MNK2 expressed in baculovirus expression system using Ac-TATKSGSTTKNR-NH2 as substr...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50263255 (CHEMBL4065802) Show SMILES Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1 Show InChI InChI=1S/C17H18F2N6O2/c1-9-6-10(23-12-7-11(20)21-8-22-12)15(27)25-13(9)14(26)24-17(25)4-2-16(18,19)3-5-17/h6-8H,2-5H2,1H3,(H,24,26)(H3,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50263264 (CHEMBL4094080) Show SMILES N[C@H]1C[C@@H](C1)Oc1ccc2ncc(-c3ccc4cnccc4c3)n2n1 |r,wU:3.5,wD:1.0,(36.72,-33.01,;35.21,-33.32,;33.93,-32.47,;33.08,-33.76,;34.37,-34.61,;31.57,-34.07,;30.55,-32.92,;29.04,-33.23,;28.03,-32.08,;28.51,-30.62,;27.74,-29.3,;28.77,-28.15,;30.18,-28.78,;31.51,-28.01,;31.51,-26.46,;32.84,-25.69,;34.17,-26.46,;35.5,-25.68,;36.83,-26.44,;36.84,-27.99,;35.51,-28.77,;34.17,-28,;32.84,-28.78,;30.01,-30.31,;31.04,-31.45,)| Show InChI InChI=1S/C19H17N5O/c20-15-8-16(9-15)25-19-4-3-18-22-11-17(24(18)23-19)13-1-2-14-10-21-6-5-12(14)7-13/h1-7,10-11,15-16H,8-9,20H2/t15-,16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM168222 (US9669031, 51 N-[6-[[8-chloro-3-(3-chlorophenyl)-3...) Show SMILES CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(Cl)c1 Show InChI InChI=1S/C22H18Cl2N6O3/c1-22(12-3-2-4-13(23)7-12)29-20(32)18-14(24)8-15(21(33)30(18)22)27-16-9-17(26-10-25-16)28-19(31)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,29,32)(H2,25,26,27,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2 (Homo sapiens (Human))	BDBM168222 (US9669031, 51 N-[6-[[8-chloro-3-(3-chlorophenyl)-3...) Show SMILES CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(Cl)c1 Show InChI InChI=1S/C22H18Cl2N6O3/c1-22(12-3-2-4-13(23)7-12)29-20(32)18-14(24)8-15(21(33)30(18)22)27-16-9-17(26-10-25-16)28-19(31)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,29,32)(H2,25,26,27,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of MNK1/2 in human HCT116 cells assessed as decrease in eIF4E phosphorylation at Ser209 after 2 hrs by HTRF assay				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM168214 (US9669031, 207 6′-((6-aminopyrimidin-4-yl)am...) Show SMILES Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1 Show InChI InChI=1S/C20H21ClN6O3/c21-12-8-13(24-14-9-15(23-10-22-14)25-17(28)11-4-5-11)19(30)27-16(12)18(29)26-20(27)6-2-1-3-7-20/h8-11H,1-7H2,(H,26,29)(H2,22,23,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal GST-tagged recombinant human MNK2 expressed in baculovirus expression system using Ac-TATKSGSTTKNR-NH2 as substr...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM297345 (N-(6-((1-oxoisoindolin-5-yl)amino)pyrimidin-4-yl)c...) Show SMILES O=C(Nc1cc(Nc2ccc3C(=O)NCc3c2)ncn1)C1CC1 Show InChI InChI=1S/C16H15N5O2/c22-15(9-1-2-9)21-14-6-13(18-8-19-14)20-11-3-4-12-10(5-11)7-17-16(12)23/h3-6,8-9H,1-2,7H2,(H,17,23)(H2,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50263253 (CHEMBL4067557) Show SMILES CC1(C)NC(=O)c2c(Cl)cc(Nc3cc(N)ncn3)c(=O)n12 Show InChI InChI=1S/C13H13ClN6O2/c1-13(2)19-11(21)10-6(14)3-7(12(22)20(10)13)18-9-4-8(15)16-5-17-9/h3-5H,1-2H3,(H,19,21)(H3,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM164271 (US9669031, 10 N-(6-((3,3-dimethyl-1,5-dioxo-1,2,3,...) Show SMILES CC1(C)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12 Show InChI InChI=1S/C17H18N6O3/c1-17(2)22-15(25)11-6-5-10(16(26)23(11)17)20-12-7-13(19-8-18-12)21-14(24)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,22,25)(H2,18,19,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal GST-tagged recombinant human MNK2 expressed in baculovirus expression system using Ac-TATKSGSTTKNR-NH2 as substr...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50263263 (CHEMBL4073443) Show SMILES Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1 Show InChI InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM168241 (US9669031, 69 8-fluoro-3,3-dimethyl-6-(pyrimidin-4...) Show SMILES CC1(C)NC(=O)c2c(F)cc(Nc3ccncn3)c(=O)n12 Show InChI InChI=1S/C13H12FN5O2/c1-13(2)18-11(20)10-7(14)5-8(12(21)19(10)13)17-9-3-4-15-6-16-9/h3-6H,1-2H3,(H,18,20)(H,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal GST-tagged recombinant human MNK2 expressed in baculovirus expression system using Ac-TATKSGSTTKNR-NH2 as substr...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM164271 (US9669031, 10 N-(6-((3,3-dimethyl-1,5-dioxo-1,2,3,...) Show SMILES CC1(C)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12 Show InChI InChI=1S/C17H18N6O3/c1-17(2)22-15(25)11-6-5-10(16(26)23(11)17)20-12-7-13(19-8-18-12)21-14(24)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,22,25)(H2,18,19,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM168216 (US9669031, 181 3,3-dimethyl-1,5-dioxo-6-(pyrimidin...) Show SMILES CC1(C)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12 Show InChI InChI=1S/C13H12ClN5O2/c1-13(2)18-11(20)10-7(14)5-8(12(21)19(10)13)17-9-3-4-15-6-16-9/h3-6H,1-2H3,(H,18,20)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315547 (US10172858, Table 2.42 | US9828378, # 42) Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCOCC1 Show InChI InChI=1S/C18H18N6O2/c19-17-15-16(14-8-10-7-12(25)1-2-13(10)22-14)23-24(18(15)21-9-20-17)11-3-5-26-6-4-11/h1-2,7-9,11,22,25H,3-6H2,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315515 (US10172858, Table 2.11 | US9828378, # 11) Show SMILES CC(C)n1nc(-c2cc3cccc(O)c3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-12(15(17)18-7-19-16)14(21-22)10-6-9-4-3-5-11(23)13(9)20-10/h3-8,20,23H,1-2H3,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315519 (US10172858, Table 2.15 | US9828378, # 15) Show SMILES CC(C)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H15ClN6O/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)11-4-8-3-9(24)5-10(17)13(8)21-11/h3-7,21,24H,1-2H3,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315520 (US10172858, Table 2.16 | US9828378, # 16) Show SMILES CC(C)n1nc(-c2cc3cc(O)cc(F)c3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H15FN6O/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)11-4-8-3-9(24)5-10(17)13(8)21-11/h3-7,21,24H,1-2H3,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315526 (US10172858, Table 2.22 | US9828378, # 22) Show SMILES CC(C)n1nc(-c2cc3c(Cl)c(O)ccc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H15ClN6O/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)10-5-8-9(21-10)3-4-11(24)13(8)17/h3-7,21,24H,1-2H3,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315574 (US10172858, Table 2.70 | US9828378, # 70) Show SMILES CC(=O)N1CCC(CC1)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C20H20ClN7O2/c1-10(29)27-4-2-12(3-5-27)28-20-16(19(22)23-9-24-20)18(26-28)15-7-11-6-13(30)8-14(21)17(11)25-15/h6-9,12,25,30H,2-5H2,1H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315565 (US10172858, Table 2.62 | US9828378, # 62) Show SMILES Nc1ncnc2n(nc(-c3cc4cccc(O)c4[nH]3)c12)C1CCOCC1 Show InChI InChI=1S/C18H18N6O2/c19-17-14-16(12-8-10-2-1-3-13(25)15(10)22-12)23-24(18(14)21-9-20-17)11-4-6-26-7-5-11/h1-3,8-9,11,22,25H,4-7H2,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315566 (US10172858, Table 2.63 | US9828378, # 63) Show SMILES COc1cccc2cc([nH]c12)-c1nn(C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C19H20N6O2/c1-26-14-4-2-3-11-9-13(23-16(11)14)17-15-18(20)21-10-22-19(15)25(24-17)12-5-7-27-8-6-12/h2-4,9-10,12,23H,5-8H2,1H3,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315572 (US10172858, Table 2.68 | US9828378, # 68) Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)cc(Cl)c4[nH]3)c12)C1CCOCC1 Show InChI InChI=1S/C18H17ClN6O2/c19-12-7-11(26)5-9-6-13(23-15(9)12)16-14-17(20)21-8-22-18(14)25(24-16)10-1-3-27-4-2-10/h5-8,10,23,26H,1-4H2,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315573 (US10172858, Table 2.69 | US9828378, # 69) Show SMILES CC(=O)N1CCC(CC1)n1nc(-c2cc3c(Cl)ccc(O)c3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C20H20ClN7O2/c1-10(29)27-6-4-11(5-7-27)28-20-16(19(22)23-9-24-20)18(26-28)14-8-12-13(21)2-3-15(30)17(12)25-14/h2-3,8-9,11,25,30H,4-7H2,1H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM297345 (N-(6-((1-oxoisoindolin-5-yl)amino)pyrimidin-4-yl)c...) Show SMILES O=C(Nc1cc(Nc2ccc3C(=O)NCc3c2)ncn1)C1CC1 Show InChI InChI=1S/C16H15N5O2/c22-15(9-1-2-9)21-14-6-13(18-8-19-14)20-11-3-4-12-10(5-11)7-17-16(12)23/h3-6,8-9H,1-2,7H2,(H,17,23)(H2,18,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal GST-tagged recombinant human MNK2 expressed in baculovirus expression system using Ac-TATKSGSTTKNR-NH2 as substr...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2 (Homo sapiens (Human))	BDBM50263263 (CHEMBL4073443) Show SMILES Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1 Show InChI InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of MNK1/2 in human HCT116 cells assessed as decrease in eIF4E phosphorylation at Ser209 after 2 hrs by HTRF assay				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM168241 (US9669031, 69 8-fluoro-3,3-dimethyl-6-(pyrimidin-4...) Show SMILES CC1(C)NC(=O)c2c(F)cc(Nc3ccncn3)c(=O)n12 Show InChI InChI=1S/C13H12FN5O2/c1-13(2)18-11(20)10-7(14)5-8(12(21)19(10)13)17-9-3-4-15-6-16-9/h3-6H,1-2H3,(H,18,20)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50263264 (CHEMBL4094080) Show SMILES N[C@H]1C[C@@H](C1)Oc1ccc2ncc(-c3ccc4cnccc4c3)n2n1 |r,wU:3.5,wD:1.0,(36.72,-33.01,;35.21,-33.32,;33.93,-32.47,;33.08,-33.76,;34.37,-34.61,;31.57,-34.07,;30.55,-32.92,;29.04,-33.23,;28.03,-32.08,;28.51,-30.62,;27.74,-29.3,;28.77,-28.15,;30.18,-28.78,;31.51,-28.01,;31.51,-26.46,;32.84,-25.69,;34.17,-26.46,;35.5,-25.68,;36.83,-26.44,;36.84,-27.99,;35.51,-28.77,;34.17,-28,;32.84,-28.78,;30.01,-30.31,;31.04,-31.45,)| Show InChI InChI=1S/C19H17N5O/c20-15-8-16(9-15)25-19-4-3-18-22-11-17(24(18)23-19)13-1-2-14-10-21-6-5-12(14)7-13/h1-7,10-11,15-16H,8-9,20H2/t15-,16-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal GST-tagged recombinant human MNK2 expressed in baculovirus expression system using Ac-TATKSGSTTKNR-NH2 as substr...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315516 (US10172858, Table 2.12 | US9828378, # 12) Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCCC1 Show InChI InChI=1S/C18H18N6O/c19-17-15-16(14-8-10-7-12(25)5-6-13(10)22-14)23-24(11-3-1-2-4-11)18(15)21-9-20-17/h5-9,11,22,25H,1-4H2,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315531 (US10172858, Table 2.26 | US9828378, # 26) Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCCCC1 Show InChI InChI=1S/C19H20N6O/c20-18-16-17(15-9-11-8-13(26)6-7-14(11)23-15)24-25(19(16)22-10-21-18)12-4-2-1-3-5-12/h6-10,12,23,26H,1-5H2,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315541 (US10172858, Table 2.36 | US9828378, # 36) Show SMILES Nc1ncnc2n(nc(-c3cc4cccc(O)c4[nH]3)c12)C1CCCC1 Show InChI InChI=1S/C18H18N6O/c19-17-14-16(12-8-10-4-3-7-13(25)15(10)22-12)23-24(11-5-1-2-6-11)18(14)21-9-20-17/h3-4,7-9,11,22,25H,1-2,5-6H2,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM168239 (US9669031, 67 3,3,8-trimethyl-6-(pyrimidin-4-ylami...) Show SMILES Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C Show InChI InChI=1S/C14H15N5O2/c1-8-6-9(17-10-4-5-15-7-16-10)13(21)19-11(8)12(20)18-14(19,2)3/h4-7H,1-3H3,(H,18,20)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins ...				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315546 (US10172858, Table 2.41 | US9828378, # 41) Show SMILES Nc1ncnc2n(nc(-c3cc4cccc(O)c4[nH]3)c12)C1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C22H23N7O2/c23-20-17-19(15-10-13-2-1-3-16(30)18(13)26-15)27-29(21(17)25-11-24-20)14-6-8-28(9-7-14)22(31)12-4-5-12/h1-3,10-12,14,26,30H,4-9H2,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315552 (US10172858, Table 2.49 | US9828378, # 49) Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CC(C1)N1CCOCC1 |(-2.36,3.11,;-2.36,1.57,;-3.69,.8,;-3.69,-.74,;-2.36,-1.51,;-1.02,-.74,;.44,-1.22,;1.35,.03,;.44,1.27,;.84,2.76,;-.06,4,;.84,5.25,;.52,6.76,;1.67,7.79,;1.27,9.27,;3.13,7.31,;3.45,5.8,;2.31,4.77,;2.31,3.23,;-1.02,.8,;.84,-2.71,;.07,-4.04,;1.4,-4.81,;2.17,-3.48,;1.8,-6.3,;.71,-7.39,;1.11,-8.88,;2.6,-9.27,;3.69,-8.19,;3.29,-6.7,)| Show InChI InChI=1S/C21H23N7O2/c22-20-18-19(17-8-12-7-15(29)1-2-16(12)25-17)26-28(21(18)24-11-23-20)14-9-13(10-14)27-3-5-30-6-4-27/h1-2,7-8,11,13-14,25,29H,3-6,9-10H2,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315568 (US10172858, Table 2.65 | US9828378, # 65) Show SMILES CC(=O)N1CCC(CC1)n1nc(-c2cc3ccc(O)cc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C20H21N7O2/c1-11(28)26-6-4-13(5-7-26)27-20-17(19(21)22-10-23-20)18(25-27)16-8-12-2-3-14(29)9-15(12)24-16/h2-3,8-10,13,24,29H,4-7H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM315544 (US10172858, Table 2.39 | US9828378, # 39) Show SMILES CC(C)n1nc(-c2cc3c(Cl)ccc(O)c3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H15ClN6O/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)10-5-8-9(17)3-4-11(24)13(8)21-10/h3-7,21,24H,1-2H3,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
INTELLIKINE LLC US Patent					Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...				US Patent US10172858 (2019) BindingDB Entry DOI: 10.7270/Q2736T01
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2 (Homo sapiens (Human))	BDBM164271 (US9669031, 10 N-(6-((3,3-dimethyl-1,5-dioxo-1,2,3,...) Show SMILES CC1(C)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12 Show InChI InChI=1S/C17H18N6O3/c1-17(2)22-15(25)11-6-5-10(16(26)23(11)17)20-12-7-13(19-8-18-12)21-14(24)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,22,25)(H2,18,19,20,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
eFFECTOR Therapeutics , 11180 Roselle Street , San Diego , California 92121 , United States. Curated by ChEMBL					Assay Description Inhibition of MNK1/2 in human HCT116 cells assessed as decrease in eIF4E phosphorylation at Ser209 after 2 hrs by HTRF assay				J Med Chem 61: 3516-3540 (2018) Article DOI: 10.1021/acs.jmedchem.7b01795 BindingDB Entry DOI: 10.7270/Q2NC63PS
					More data for this Ligand-Target Pair

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