Compile Data Set for Download or QSAR

Found 322 hits with Last Name = 'webster' and Initial = 'kr'   

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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5725 (2-aminothiazole 9 | 5-{[(5-tert-butyl-1,3-oxazol-2...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccncn3)s2)o1 Show InChI InChI=1S/C15H17N5OS2/c1-15(2,3)10-6-17-12(21-10)8-22-13-7-18-14(23-13)20-11-4-5-16-9-19-11/h4-7,9H,8H2,1-3H3,(H,16,18,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				Bioorg Med Chem Lett 14: 2973-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.105 BindingDB Entry DOI: 10.7270/Q27942WW
					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
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50540861 (EFT-226 | Eft226 | Zotatifin) Show SMILES COc1cc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c2c(OC)n1)c1ccccc1)c1ccc(cc1)C#N Show InChI InChI=1S/C28H29N3O5/c1-31(2)16-20-23(18-8-6-5-7-9-18)28(19-12-10-17(15-29)11-13-19)27(33,25(20)32)24-21(36-28)14-22(34-3)30-26(24)35-4/h5-14,20,23,25,32-33H,16H2,1-4H3/t20-,23-,25-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Inception Therapeutics Curated by ChEMBL					Assay Description Inhibition of eIF4A1 in human MDA-MB-231 cells assessed as inhibition of cellular-translation incubated for 4 hrs by specific tandem sequence motif r...				J Med Chem 63: 5879-5955 (2020) Article DOI: 10.1021/acs.jmedchem.0c00182 BindingDB Entry DOI: 10.7270/Q2MC93K8
					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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5727 (2-aminothiazole 23 | N-{4-[(5-{[(5-tert-butyl-1,3-...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccc(cc3)S(=O)(=O)NCCO)s2)o1 Show InChI InChI=1S/C19H24N4O4S3/c1-19(2,3)15-10-20-16(27-15)12-28-17-11-21-18(29-17)23-13-4-6-14(7-5-13)30(25,26)22-8-9-24/h4-7,10-11,22,24H,8-9,12H2,1-3H3,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				Bioorg Med Chem Lett 14: 2973-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.105 BindingDB Entry DOI: 10.7270/Q27942WW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5666 (2-amino-5-thio-substituted thiazole 40 | 3-(5-{[(5...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1 Show InChI InChI=1S/C18H18F2N4O2S2/c1-18(2,3)12-7-21-13(26-12)9-27-14-8-22-17(28-14)24-16(25)23-15-10(19)5-4-6-11(15)20/h4-8H,9H2,1-3H3,(H2,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 45: 3905-27 (2002) Article DOI: 10.1021/jm0201520 BindingDB Entry DOI: 10.7270/Q2GT5KC3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5723 (2-aminothiazole 7 | 5-{[(5-tert-butyl-1,3-oxazol-2...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccccn3)s2)o1 Show InChI InChI=1S/C16H18N4OS2/c1-16(2,3)11-8-18-13(21-11)10-22-14-9-19-15(23-14)20-12-6-4-5-7-17-12/h4-9H,10H2,1-3H3,(H,17,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				Bioorg Med Chem Lett 14: 2973-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.105 BindingDB Entry DOI: 10.7270/Q27942WW
					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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5667 (2-amino-5-thio-substituted thiazole 41 | 3-(5-{[(5...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(Cl)cccc3Cl)s2)o1 Show InChI InChI=1S/C18H18Cl2N4O2S2/c1-18(2,3)12-7-21-13(26-12)9-27-14-8-22-17(28-14)24-16(25)23-15-10(19)5-4-6-11(15)20/h4-8H,9H2,1-3H3,(H2,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 45: 3905-27 (2002) Article DOI: 10.1021/jm0201520 BindingDB Entry DOI: 10.7270/Q2GT5KC3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5724 (2-aminothiazole 8 | 5-{[(5-tert-butyl-1,3-oxazol-2...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3cccnc3)s2)o1 Show InChI InChI=1S/C16H18N4OS2/c1-16(2,3)12-8-18-13(21-12)10-22-14-9-19-15(23-14)20-11-5-4-6-17-7-11/h4-9H,10H2,1-3H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				Bioorg Med Chem Lett 14: 2973-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.105 BindingDB Entry DOI: 10.7270/Q27942WW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5668 (2-amino-5-thio-substituted thiazole 45 | BMS-38703...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC(CO)CO)cc3)s2)o1 Show InChI InChI=1S/C23H30N4O4S2/c1-23(2,3)18-10-25-20(31-18)14-32-21-11-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-17(12-28)13-29/h4-7,10-11,17,24,28-29H,8-9,12-14H2,1-3H3,(H,26,27,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 45: 3905-27 (2002) Article DOI: 10.1021/jm0201520 BindingDB Entry DOI: 10.7270/Q2GT5KC3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5708 (2-amino-5-thio-substituted thiazole 76 | N-(5-{[(2...) Show SMILES CC(C)(C)c1ncc(CSc2cnc(NC(=O)Cc3ccccc3)s2)o1 Show InChI InChI=1S/C19H21N3O2S2/c1-19(2,3)17-20-10-14(24-17)12-25-16-11-21-18(26-16)22-15(23)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 45: 3905-27 (2002) Article DOI: 10.1021/jm0201520 BindingDB Entry DOI: 10.7270/Q2GT5KC3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5668 (2-amino-5-thio-substituted thiazole 45 | BMS-38703...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC(CO)CO)cc3)s2)o1 Show InChI InChI=1S/C23H30N4O4S2/c1-23(2,3)18-10-25-20(31-18)14-32-21-11-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-17(12-28)13-29/h4-7,10-11,17,24,28-29H,8-9,12-14H2,1-3H3,(H,26,27,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5726 (2-aminothiazole deriv. | 3-[({6-[(5-{[(5-tert-buty...) Show SMILES CC(C)(CO)CNCc1ccc(Nc2ncc(SCc3ncc(o3)C(C)(C)C)s2)nc1 Show InChI InChI=1S/C22H31N5O2S2/c1-21(2,3)16-10-25-18(29-16)12-30-19-11-26-20(31-19)27-17-7-6-15(9-24-17)8-23-13-22(4,5)14-28/h6-7,9-11,23,28H,8,12-14H2,1-5H3,(H,24,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				Bioorg Med Chem Lett 14: 2973-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.105 BindingDB Entry DOI: 10.7270/Q27942WW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5924 (BMS-387032 analog 14 | N-(5-{[(5-tert-butyl-1,3-ox...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccccc3)s2)o1 Show InChI InChI=1S/C19H21N3O2S2/c1-19(2,3)14-10-20-16(24-14)12-25-17-11-21-18(26-17)22-15(23)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					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
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM5723 (2-aminothiazole 7 | 5-{[(5-tert-butyl-1,3-oxazol-2...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccccn3)s2)o1 Show InChI InChI=1S/C16H18N4OS2/c1-16(2,3)11-8-18-13(21-11)10-22-14-9-19-15(23-14)20-12-6-4-5-7-17-12/h4-9H,10H2,1-3H3,(H,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				Bioorg Med Chem Lett 14: 2973-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.105 BindingDB Entry DOI: 10.7270/Q27942WW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5661 (2-amino-5-thio-substituted thiazole 26 | N-[5-({[5...) Show SMILES CC(=O)Nc1ncc(SCc2ncc(CC3CCCCC3)o2)s1 Show InChI InChI=1S/C16H21N3O2S2/c1-11(20)19-16-18-9-15(23-16)22-10-14-17-8-13(21-14)7-12-5-3-2-4-6-12/h8-9,12H,2-7,10H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 45: 3905-27 (2002) Article DOI: 10.1021/jm0201520 BindingDB Entry DOI: 10.7270/Q2GT5KC3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5722 (2-aminothiazole 6 | 5-{[(5-tert-butyl-1,3-oxazol-2...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C17H19N3OS2/c1-17(2,3)13-9-18-14(21-13)11-22-15-10-19-16(23-15)20-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				Bioorg Med Chem Lett 14: 2973-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.105 BindingDB Entry DOI: 10.7270/Q27942WW
					More data for this Ligand-Target Pair
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50196926 (CHEMBL438139 | Rocaglamide | US10085988, Compound ...) Show SMILES COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C |r| Show InChI InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Inception Therapeutics Curated by ChEMBL					Assay Description Inhibition of eIF4A1 in human MDA-MB-231 cells assessed as inhibition of cellular-translation incubated for 4 hrs by specific tandem sequence motif r...				J Med Chem 63: 5879-5955 (2020) Article DOI: 10.1021/acs.jmedchem.0c00182 BindingDB Entry DOI: 10.7270/Q2MC93K8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5721 (2-aminothiazole 3 | N-(5-{[(5-tert-butyl-1,3-oxazo...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1 Show InChI InChI=1S/C18H20N4O2S2/c1-18(2,3)13-9-20-15(24-13)11-25-16-10-21-17(26-16)22-14(23)7-12-5-4-6-19-8-12/h4-6,8-10H,7,11H2,1-3H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				Bioorg Med Chem Lett 14: 2973-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.105 BindingDB Entry DOI: 10.7270/Q27942WW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5662 (2-amino-5-thio-substituted thiazole 29 | N-(5-{[(5...) Show SMILES CC(C)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 Show InChI InChI=1S/C15H21N3O2S2/c1-9(2)13(19)18-14-17-7-12(22-14)21-8-11-16-6-10(20-11)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 45: 3905-27 (2002) Article DOI: 10.1021/jm0201520 BindingDB Entry DOI: 10.7270/Q2GT5KC3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5660 (2-amino-5-thio-substituted thiazole 25 | 2-aminoth...) Show SMILES CC(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 Show InChI InChI=1S/C13H17N3O2S2/c1-8(17)16-12-15-6-11(20-12)19-7-10-14-5-9(18-10)13(2,3)4/h5-6H,7H2,1-4H3,(H,15,16,17)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5660 (2-amino-5-thio-substituted thiazole 25 | 2-aminoth...) Show SMILES CC(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 Show InChI InChI=1S/C13H17N3O2S2/c1-8(17)16-12-15-6-11(20-12)19-7-10-14-5-9(18-10)13(2,3)4/h5-6H,7H2,1-4H3,(H,15,16,17)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				Bioorg Med Chem Lett 14: 2973-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.105 BindingDB Entry DOI: 10.7270/Q27942WW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5660 (2-amino-5-thio-substituted thiazole 25 | 2-aminoth...) Show SMILES CC(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 Show InChI InChI=1S/C13H17N3O2S2/c1-8(17)16-12-15-6-11(20-12)19-7-10-14-5-9(18-10)13(2,3)4/h5-6H,7H2,1-4H3,(H,15,16,17)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 45: 3905-27 (2002) Article DOI: 10.1021/jm0201520 BindingDB Entry DOI: 10.7270/Q2GT5KC3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5670 (2-amino-5-thio-substituted thiazole 47 | N-(5-{[(5...) Show SMILES CCc1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1 Show InChI InChI=1S/C16H16N4O2S2/c1-2-12-8-18-14(22-12)10-23-15-9-19-16(24-15)20-13(21)6-11-4-3-5-17-7-11/h3-5,7-9H,2,6,10H2,1H3,(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 45: 3905-27 (2002) Article DOI: 10.1021/jm0201520 BindingDB Entry DOI: 10.7270/Q2GT5KC3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5669 (2-amino-5-thio-substituted thiazole 46 | N-(5-{[(5...) Show SMILES CCc1cnc(CSc2cnc(NC(=O)C(C)C)s2)o1 Show InChI InChI=1S/C13H17N3O2S2/c1-4-9-5-14-10(18-9)7-19-11-6-15-13(20-11)16-12(17)8(2)3/h5-6,8H,4,7H2,1-3H3,(H,15,16,17)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 45: 3905-27 (2002) Article DOI: 10.1021/jm0201520 BindingDB Entry DOI: 10.7270/Q2GT5KC3
					More data for this Ligand-Target Pair

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