Compile Data Set for Download or QSAR

Found 469 hits with Last Name = 'clarine' and Initial = 'j'   

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))	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))	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))	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
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
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50576672 (CHEMBL4857096) Show SMILES COc1cncc2O[C@]3([C@@H]([C@@H](CO)[C@H](CNC4COC4)[C@@]3(O)c12)c1ccccc1)c1ccc(Br)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
TBA					Assay Description Inhibition of eIF4A (unknown origin) assessed as inhibition of translation of RNA featuring highly structured 5'-UTR of c-Myc				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128111 BindingDB Entry DOI: 10.7270/Q2GQ72K9
					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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM98891 (US8497265, 217 | US8497265, 239) Show SMILES OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C22H25N5O2/c28-15-16-7-11-26(12-8-16)21-22(24-10-9-23-21)29-18-13-27(14-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-6,9-10,16,18,28H,7-8,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human PDE10A2 using FAM-cAMP substrate by TR-FRET progressive binding assay				Bioorg Med Chem 22: 6570-85 (2015) Article DOI: 10.1016/j.bmc.2014.10.013 BindingDB Entry DOI: 10.7270/Q2RB766Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM99037 (US8497265, 677) Show SMILES CC(=O)N1CCC(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C27H27N5O2/c1-18(33)31-14-12-20(13-15-31)26-27(30-24-9-5-4-8-23(24)29-26)34-21-16-32(17-21)25-11-10-19-6-2-3-7-22(19)28-25/h2-11,20-21H,12-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human PDE10A2 using FAM-cAMP substrate by TR-FRET progressive binding assay				Bioorg Med Chem 22: 6570-85 (2015) Article DOI: 10.1016/j.bmc.2014.10.013 BindingDB Entry DOI: 10.7270/Q2RB766Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM579099 (& 16-2 | US11479551, Example 16-1) Show SMILES Cn1ncc(c1-c1c(F)cc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(3.12,-6.43,;4.6,-6.03,;5.37,-4.7,;6.88,-5.02,;7.04,-6.55,;5.63,-7.18,;5.24,-8.66,;6.32,-9.75,;7.81,-9.35,;5.93,-11.24,;4.44,-11.64,;4.04,-13.13,;2.55,-13.52,;1.46,-12.44,;1.86,-10.95,;3.35,-10.55,;3.7,-8.95,;2.62,-7.85,;1.55,-6.75,;8.37,-7.32,;8.37,-8.86,;9.71,-9.63,;11.04,-8.86,;11.04,-7.32,;9.71,-6.55,;12.38,-6.55,;12.38,-5.01,;13.71,-4.24,;13.71,-7.32,;13.71,-8.86,;12.38,-9.63,;12.38,-11.17,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01900 BindingDB Entry DOI: 10.7270/Q2DB85RR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM579099 (& 16-2 | US11479551, Example 16-1) Show SMILES Cn1ncc(c1-c1c(F)cc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(3.12,-6.43,;4.6,-6.03,;5.37,-4.7,;6.88,-5.02,;7.04,-6.55,;5.63,-7.18,;5.24,-8.66,;6.32,-9.75,;7.81,-9.35,;5.93,-11.24,;4.44,-11.64,;4.04,-13.13,;2.55,-13.52,;1.46,-12.44,;1.86,-10.95,;3.35,-10.55,;3.7,-8.95,;2.62,-7.85,;1.55,-6.75,;8.37,-7.32,;8.37,-8.86,;9.71,-9.63,;11.04,-8.86,;11.04,-7.32,;9.71,-6.55,;12.38,-6.55,;12.38,-5.01,;13.71,-4.24,;13.71,-7.32,;13.71,-8.86,;12.38,-9.63,;12.38,-11.17,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01900 BindingDB Entry DOI: 10.7270/Q2DB85RR
					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
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50585596 (CHEMBL5076766) Show SMILES Cn1ncc(c1-c1c(F)ccc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(19.52,-17.1,;21.06,-16.94,;21.83,-15.6,;23.34,-15.93,;23.49,-17.46,;22.09,-18.08,;21.77,-19.59,;22.92,-20.63,;24.02,-20.27,;22.59,-22.14,;21.13,-22.61,;19.98,-21.58,;18.52,-22.05,;17.38,-21.02,;15.86,-20.7,;16.9,-19.56,;20.3,-20.07,;19.16,-19.04,;18.01,-18.01,;24.83,-18.23,;24.83,-19.77,;26.17,-20.54,;27.5,-19.77,;27.5,-18.23,;26.17,-17.46,;28.83,-17.46,;28.83,-15.92,;30.17,-15.15,;30.17,-18.23,;30.17,-19.77,;28.83,-20.54,;28.83,-22.08,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01900 BindingDB Entry DOI: 10.7270/Q2DB85RR
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM98933 (US8497265, 345) Show SMILES OCC1CCN(CC1)c1cnccc1OC1CN(C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C23H26N4O2/c28-16-17-8-11-26(12-9-17)21-13-24-10-7-22(21)29-19-14-27(15-19)23-6-5-18-3-1-2-4-20(18)25-23/h1-7,10,13,17,19,28H,8-9,11-12,14-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human PDE10A2 using FAM-cAMP substrate by TR-FRET progressive binding assay				Bioorg Med Chem 22: 6570-85 (2015) Article DOI: 10.1016/j.bmc.2014.10.013 BindingDB Entry DOI: 10.7270/Q2RB766Q
					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)
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50576670 (CHEMBL4864162) Show SMILES COc1cncc2O[C@]3([C@@H](C[C@H](CN)[C@@]3(O)c12)c1ccccc1)c1ccc(Br)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of eIF4A (unknown origin) assessed as inhibition of translation of RNA featuring highly structured 5'-UTR of c-Myc				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128111 BindingDB Entry DOI: 10.7270/Q2GQ72K9
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50463853 (CHEMBL4237618) Show SMILES Fc1cccnc1[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(c(F)c1)C(F)(F)F |r| Show InChI InChI=1S/C19H12F5N3O2/c20-13-2-1-7-25-17(13)16(27-18(29)11-4-6-15(28)26-9-11)10-3-5-12(14(21)8-10)19(22,23)24/h1-9,16H,(H,26,28)(H,27,29)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced intracellular calcium levels preincubated for 2.5 ...				J Med Chem 61: 8186-8201 (2018) Article DOI: 10.1021/acs.jmedchem.8b00518 BindingDB Entry DOI: 10.7270/Q2TH8QCW
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM579030 (2-(4-(4-(aminomethyl)-1-oxo-1,2- dihydrophthalazin...) Show SMILES Cn1ncc(c1-c1sc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.27,1.79,;-2.94,2.56,;-2.46,4.02,;-.92,4.02,;-.45,2.56,;-1.69,1.65,;-2.09,.16,;-1.19,-1.08,;-2.09,-2.33,;-1.77,-3.84,;-2.91,-4.87,;-4.38,-4.39,;-4.7,-2.88,;-3.56,-1.85,;-3.56,-.31,;-4.8,.59,;-6.05,1.5,;.89,1.79,;.89,.25,;2.22,-.52,;3.56,.25,;3.56,1.79,;2.22,2.56,;4.89,2.56,;4.89,4.1,;3.56,4.87,;6.22,1.79,;6.22,.25,;4.89,-.52,;4.89,-2.06,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01900 BindingDB Entry DOI: 10.7270/Q2DB85RR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Eukaryotic initiation factor 4A-I (Homo sapiens (Human))	BDBM50576669 (CHEMBL4855528) Show SMILES COc1cncc2O[C@]3([C@@H](C[C@H](CN)[C@@]3(O)c12)c1ccccc1)c1ccc(cc1)C#N |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of eIF4A (unknown origin) assessed as inhibition of translation of RNA featuring highly structured 5'-UTR of c-Myc				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128111 BindingDB Entry DOI: 10.7270/Q2GQ72K9
					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
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM579105 (US11479551, Example 16-7 | US11479551, Example 16-...) Show SMILES Cn1ncc(c1-c1c(F)c(Cl)cc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.63,2.65,;-3.14,3.05,;-2.37,4.38,;-.86,4.06,;-.7,2.53,;-2.11,1.91,;-2.51,.42,;-1.42,-.67,;.12,-.67,;-1.82,-2.16,;-.73,-3.25,;-3.3,-2.56,;-4.39,-1.47,;-5.88,-1.87,;-6.28,-3.35,;-7.37,-4.44,;-5.88,-4.84,;-4.04,.12,;-5.12,1.22,;-6.19,2.33,;.63,1.76,;.63,.22,;1.97,-.55,;3.3,.22,;3.3,1.76,;1.97,2.53,;4.63,2.53,;4.63,4.07,;5.97,4.84,;5.97,1.76,;5.97,.22,;4.63,-.55,;4.63,-2.09,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01900 BindingDB Entry DOI: 10.7270/Q2DB85RR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM579105 (US11479551, Example 16-7 | US11479551, Example 16-...) Show SMILES Cn1ncc(c1-c1c(F)c(Cl)cc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.63,2.65,;-3.14,3.05,;-2.37,4.38,;-.86,4.06,;-.7,2.53,;-2.11,1.91,;-2.51,.42,;-1.42,-.67,;.12,-.67,;-1.82,-2.16,;-.73,-3.25,;-3.3,-2.56,;-4.39,-1.47,;-5.88,-1.87,;-6.28,-3.35,;-7.37,-4.44,;-5.88,-4.84,;-4.04,.12,;-5.12,1.22,;-6.19,2.33,;.63,1.76,;.63,.22,;1.97,-.55,;3.3,.22,;3.3,1.76,;1.97,2.53,;4.63,2.53,;4.63,4.07,;5.97,4.84,;5.97,1.76,;5.97,.22,;4.63,-.55,;4.63,-2.09,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01900 BindingDB Entry DOI: 10.7270/Q2DB85RR
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Homo sapiens (Human))	BDBM50463854 (CHEMBL4251427) Show SMILES FC(F)(F)c1ccc(cc1)[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ncccc1C(F)(F)F |r| Show InChI InChI=1S/C20H13F6N3O2/c21-19(22,23)13-6-3-11(4-7-13)16(17-14(20(24,25)26)2-1-9-27-17)29-18(31)12-5-8-15(30)28-10-12/h1-10,16H,(H,28,30)(H,29,31)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced intracellular calcium levels preincubated for 2.5 ...				J Med Chem 61: 8186-8201 (2018) Article DOI: 10.1021/acs.jmedchem.8b00518 BindingDB Entry DOI: 10.7270/Q2TH8QCW
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Mus musculus)	BDBM50463844 (CHEMBL4247840) Show SMILES Oc1ccc(cc1)C(=O)N[C@@H](c1ccc(cc1)C(F)(F)F)c1ncccc1C(F)(F)F |r| Show InChI InChI=1S/C21H14F6N2O2/c22-20(23,24)14-7-3-12(4-8-14)17(18-16(21(25,26)27)2-1-11-28-18)29-19(31)13-5-9-15(30)10-6-13/h1-11,17,30H,(H,29,31)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at mouse TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced intracellular calcium levels preincubated for 2.5 ...				J Med Chem 61: 8186-8201 (2018) Article DOI: 10.1021/acs.jmedchem.8b00518 BindingDB Entry DOI: 10.7270/Q2TH8QCW
					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)
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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Inception Therapeutics Curated by ChEMBL					Assay Description Inhibition of eIF4A1 in human HAP1 cells assessed as reduction in cell proliferation incubated for 72 hrs by CellTiter-Glo reagent based assay				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))	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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM98872 (US8497265, 198) Show SMILES OCC1CCN(CC1)c1nccnc1OC1CCN(CC1)c1ccc2ccccc2n1 Show InChI InChI=1S/C24H29N5O2/c30-17-18-7-13-29(14-8-18)23-24(26-12-11-25-23)31-20-9-15-28(16-10-20)22-6-5-19-3-1-2-4-21(19)27-22/h1-6,11-12,18,20,30H,7-10,13-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human PDE10A2 using FAM-cAMP substrate by TR-FRET progressive binding assay				Bioorg Med Chem 22: 6570-85 (2015) Article DOI: 10.1016/j.bmc.2014.10.013 BindingDB Entry DOI: 10.7270/Q2RB766Q
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM98898 (US8497265, 224) Show SMILES OCC1CCN(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C26H27N5O2/c32-17-18-11-13-30(14-12-18)25-26(29-23-8-4-3-7-22(23)28-25)33-20-15-31(16-20)24-10-9-19-5-1-2-6-21(19)27-24/h1-10,18,20,32H,11-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human PDE10A2 using FAM-cAMP substrate by TR-FRET progressive binding assay				Bioorg Med Chem 22: 6570-85 (2015) Article DOI: 10.1016/j.bmc.2014.10.013 BindingDB Entry DOI: 10.7270/Q2RB766Q
					More data for this Ligand-Target Pair

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