Compile Data Set for Download or QSAR

Found 253 hits with Last Name = 'baburajendran' and Initial = 'n'   

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
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502427 (CHEMBL4542517) Show SMILES CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(cc1)C1(N)CC1 |r| Show InChI InChI=1S/C28H31ClN4O3/c1-3-14-36-27(35)33-13-12-32(17-18(33)2)26(34)20-6-9-22-23(29)16-24(31-25(22)15-20)19-4-7-21(8-5-19)28(30)10-11-28/h4-9,15-16,18H,3,10-14,17,30H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Irreversible inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 5 mins followed by substrate addition and measured...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502433 (CHEMBL4575866) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(cc1)C(=O)NC Show InChI InChI=1S/C26H27ClN4O4/c1-3-14-35-26(34)31-12-10-30(11-13-31)25(33)19-8-9-20-21(27)16-22(29-23(20)15-19)17-4-6-18(7-5-17)24(32)28-2/h4-9,15-16H,3,10-14H2,1-2H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Irreversible inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 5 mins followed by substrate addition and measured...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502434 (CHEMBL4551647) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C24H24ClN3O3/c1-2-14-31-24(30)28-12-10-27(11-13-28)23(29)18-8-9-19-20(25)16-21(26-22(19)15-18)17-6-4-3-5-7-17/h3-9,15-16H,2,10-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Irreversible inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 5 mins followed by substrate addition and measured...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502427 (CHEMBL4542517) Show SMILES CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(cc1)C1(N)CC1 |r| Show InChI InChI=1S/C28H31ClN4O3/c1-3-14-36-27(35)33-13-12-32(17-18(33)2)26(34)20-6-9-22-23(29)16-24(31-25(22)15-20)19-4-7-21(8-5-19)28(30)10-11-28/h4-9,15-16,18H,3,10-14,17,30H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50520279 (CHEMBL4442209) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1c(C)n[nH]c1C Show InChI InChI=1S/C20H22N4O2/c1-11(2)26-18-8-14(5-6-17(18)20(21)25)15-7-16(10-22-9-15)19-12(3)23-24-13(19)4/h5-11H,1-4H3,(H2,21,25)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50520278 (CHEMBL4569209) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cn[nH]c1C Show InChI InChI=1S/C19H20N4O2/c1-11(2)25-18-7-13(4-5-16(18)19(20)24)14-6-15(9-21-8-14)17-10-22-23-12(17)3/h4-11H,1-3H3,(H2,20,24)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM31085 (1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...) Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of MNK2 (unknown origin)				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50520279 (CHEMBL4442209) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1c(C)n[nH]c1C Show InChI InChI=1S/C20H22N4O2/c1-11(2)26-18-8-14(5-6-17(18)20(21)25)15-7-16(10-22-9-15)19-12(3)23-24-13(19)4/h5-11H,1-4H3,(H2,21,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK1 (unknown origin) (37 to 341 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50520296 (CHEMBL4588193) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C(C)C Show InChI InChI=1S/C21H24N4O2/c1-13(2)25-12-18(11-24-25)17-7-16(9-23-10-17)15-5-6-19(21(22)26)20(8-15)27-14(3)4/h5-14H,1-4H3,(H2,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50520256 (CHEMBL4443472) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C1CCOC1 Show InChI InChI=1S/C22H24N4O3/c1-14(2)29-21-8-15(3-4-20(21)22(23)27)16-7-17(10-24-9-16)18-11-25-26(12-18)19-5-6-28-13-19/h3-4,7-12,14,19H,5-6,13H2,1-2H3,(H2,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50520278 (CHEMBL4569209) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cn[nH]c1C Show InChI InChI=1S/C19H20N4O2/c1-11(2)25-18-7-13(4-5-16(18)19(20)24)14-6-15(9-21-8-14)17-10-22-23-12(17)3/h4-11H,1-3H3,(H2,20,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK1 (unknown origin) (37 to 341 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50520292 (CHEMBL4462099) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1c[nH]nc1C1CC1 Show InChI InChI=1S/C21H22N4O2/c1-12(2)27-19-8-14(5-6-17(19)21(22)26)15-7-16(10-23-9-15)18-11-24-25-20(18)13-3-4-13/h5-13H,3-4H2,1-2H3,(H2,22,26)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50520252 (CHEMBL4440223) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(C)c1C Show InChI InChI=1S/C20H22N4O2/c1-12(2)26-19-8-14(5-6-17(19)20(21)25)15-7-16(10-22-9-15)18-11-23-24(4)13(18)3/h5-12H,1-4H3,(H2,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK1 (unknown origin) (37 to 341 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502413 (CHEMBL4521324) Show SMILES CCCOC(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2c(Cl)c3CCC(CN)Cc3nc2c1 |r| Show InChI InChI=1S/C24H31ClN4O3/c1-3-10-32-24(31)28-8-9-29(15(2)14-28)23(30)17-5-7-19-21(12-17)27-20-11-16(13-26)4-6-18(20)22(19)25/h5,7,12,15-16H,3-4,6,8-11,13-14,26H2,1-2H3/t15-,16?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50520289 (CHEMBL4587472) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1nn[nH]n1 Show InChI InChI=1S/C16H16N6O2/c1-9(2)24-14-6-10(3-4-13(14)15(17)23)11-5-12(8-18-7-11)16-19-21-22-20-16/h3-9H,1-2H3,(H2,17,23)(H,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50520296 (CHEMBL4588193) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C(C)C Show InChI InChI=1S/C21H24N4O2/c1-13(2)25-12-18(11-24-25)17-7-16(9-23-10-17)15-5-6-19(21(22)26)20(8-15)27-14(3)4/h5-14H,1-4H3,(H2,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK1 (unknown origin) (37 to 341 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50520253 (CHEMBL4587832) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C1COC1 Show InChI InChI=1S/C21H22N4O3/c1-13(2)28-20-6-14(3-4-19(20)21(22)26)15-5-16(8-23-7-15)17-9-24-25(10-17)18-11-27-12-18/h3-10,13,18H,11-12H2,1-2H3,(H2,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50172078 (LY-2801653 | Merestinib) Show SMILES Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of MNK2 (unknown origin)				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50520252 (CHEMBL4440223) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(C)c1C Show InChI InChI=1S/C20H22N4O2/c1-12(2)26-19-8-14(5-6-17(19)20(21)25)15-7-16(10-22-9-15)18-11-23-24(4)13(18)3/h5-12H,1-4H3,(H2,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50520256 (CHEMBL4443472) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C1CCOC1 Show InChI InChI=1S/C22H24N4O3/c1-14(2)29-21-8-15(3-4-20(21)22(23)27)16-7-17(10-24-9-16)18-11-25-26(12-18)19-5-6-28-13-19/h3-4,7-12,14,19H,5-6,13H2,1-2H3,(H2,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK1 (unknown origin) (37 to 341 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50520292 (CHEMBL4462099) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1c[nH]nc1C1CC1 Show InChI InChI=1S/C21H22N4O2/c1-12(2)27-19-8-14(5-6-17(19)21(22)26)15-7-16(10-23-9-15)18-11-24-25-20(18)13-3-4-13/h5-13H,3-4H2,1-2H3,(H2,22,26)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK1 (unknown origin) (37 to 341 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50172078 (LY-2801653 | Merestinib) Show SMILES Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)	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	130	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of MNK1 (unknown origin)				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502429 (CHEMBL4475972) Show SMILES CCCOC(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 |r| Show InChI InChI=1S/C23H28ClN3O3/c1-3-12-30-23(29)26-10-11-27(15(2)14-26)22(28)16-8-9-18-20(13-16)25-19-7-5-4-6-17(19)21(18)24/h8-9,13,15H,3-7,10-12,14H2,1-2H3/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50520276 (CHEMBL4457274) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(C)c1 Show InChI InChI=1S/C19H20N4O2/c1-12(2)25-18-7-13(4-5-17(18)19(20)24)14-6-15(9-21-8-14)16-10-22-23(3)11-16/h4-12H,1-3H3,(H2,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2 (Homo sapiens (Human))	BDBM50520279 (CHEMBL4442209) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1c(C)n[nH]c1C Show InChI InChI=1S/C20H22N4O2/c1-11(2)26-18-8-14(5-6-17(18)20(21)25)15-7-16(10-22-9-15)19-12(3)23-24-13(19)4/h5-11H,1-4H3,(H2,21,25)(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of MNK1/MNK2 in human HeLa cells overexpressing eIF4E assessed as reduction in eIF4E phosphorylation at Ser209 residue after 2 hrs by Alph...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502416 (CHEMBL4472455) Show SMILES CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccccc1 |r| Show InChI InChI=1S/C25H26ClN3O3/c1-3-13-32-25(31)29-12-11-28(16-17(29)2)24(30)19-9-10-20-21(26)15-22(27-23(20)14-19)18-7-5-4-6-8-18/h4-10,14-15,17H,3,11-13,16H2,1-2H3/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50520253 (CHEMBL4587832) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C1COC1 Show InChI InChI=1S/C21H22N4O3/c1-13(2)28-20-6-14(3-4-19(20)21(22)26)15-5-16(8-23-7-15)17-9-24-25(10-17)18-11-27-12-18/h3-10,13,18H,11-12H2,1-2H3,(H2,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK1 (unknown origin) (37 to 341 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2 (Homo sapiens (Human))	BDBM50520253 (CHEMBL4587832) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C1COC1 Show InChI InChI=1S/C21H22N4O3/c1-13(2)28-20-6-14(3-4-19(20)21(22)26)15-5-16(8-23-7-15)17-9-24-25(10-17)18-11-27-12-18/h3-10,13,18H,11-12H2,1-2H3,(H2,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of MNK1/MNK2 in human HeLa cells overexpressing eIF4E assessed as reduction in eIF4E phosphorylation at Ser209 residue after 2 hrs by Alph...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502433 (CHEMBL4575866) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(cc1)C(=O)NC Show InChI InChI=1S/C26H27ClN4O4/c1-3-14-35-26(34)31-12-10-30(11-13-31)25(33)19-8-9-20-21(27)16-22(29-23(20)15-19)17-4-6-18(7-5-17)24(32)28-2/h4-9,15-16H,3,10-14H2,1-2H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502436 (CHEMBL4450314) Show SMILES CCCOC(=O)N1CCN([C@H](C)C1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 |r| Show InChI InChI=1S/C23H28ClN3O3/c1-3-12-30-23(29)26-10-11-27(15(2)14-26)22(28)16-8-9-18-20(13-16)25-19-7-5-4-6-17(19)21(18)24/h8-9,13,15H,3-7,10-12,14H2,1-2H3/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502414 (CHEMBL4440399) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(OC)cc1 Show InChI InChI=1S/C25H26ClN3O4/c1-3-14-33-25(31)29-12-10-28(11-13-29)24(30)18-6-9-20-21(26)16-22(27-23(20)15-18)17-4-7-19(32-2)8-5-17/h4-9,15-16H,3,10-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Protein kinase C iota type (Homo sapiens (Human))	BDBM50526595 (CHEMBL4517782) Show SMILES Nc1ncc(nc1C(=O)Nc1ccncc1)-c1cccc(c1)N1CCNCC1 Show InChI InChI=1S/C20H21N7O/c21-19-18(20(28)25-15-4-6-22-7-5-15)26-17(13-24-19)14-2-1-3-16(12-14)27-10-8-23-9-11-27/h1-7,12-13,23H,8-11H2,(H2,21,24)(H,22,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
ASTAR Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-fused PKCi (1 to 587 residues) expressed in baculovirus expression system using 5-FAM-RFAR...				ACS Med Chem Lett 10: 318-323 (2019) Article DOI: 10.1021/acsmedchemlett.8b00546 BindingDB Entry DOI: 10.7270/Q2348PT0
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50520270 (CHEMBL4456135) Show SMILES NC(=O)c1ccc(cc1OC1CCCCC1)-c1cccnc1 Show InChI InChI=1S/C18H20N2O2/c19-18(21)16-9-8-13(14-5-4-10-20-12-14)11-17(16)22-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2,(H2,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502434 (CHEMBL4551647) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C24H24ClN3O3/c1-2-14-31-24(30)28-12-10-27(11-13-28)23(29)18-8-9-19-20(25)16-21(26-22(19)15-18)17-6-4-3-5-7-17/h3-9,15-16H,2,10-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM50578087 (CHEMBL4871523) Show SMILES COc1ccc(cc1)-n1cc(cn1)-c1n[nH]c2cc(Cl)c(N[C@@H]3CCNC3)cc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Axl (unknown origin) using 5'FAM labeled KKKKEEIYFFF-NH2 peptide as substrate incubated for 1.5 hrs				Citation and Details Article DOI: 10.1016/j.bmc.2021.116437 BindingDB Entry DOI: 10.7270/Q2H70KN7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50520261 (CHEMBL4558635) Show SMILES Cn1ccc(n1)-c1cncc(c1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C16H14N4O/c1-20-7-6-15(19-20)14-8-13(9-18-10-14)11-2-4-12(5-3-11)16(17)21/h2-10H,1H3,(H2,17,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50520289 (CHEMBL4587472) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1nn[nH]n1 Show InChI InChI=1S/C16H16N6O2/c1-9(2)24-14-6-10(3-4-13(14)15(17)23)11-5-12(8-18-7-11)16-19-21-22-20-16/h3-9H,1-2H3,(H2,17,23)(H,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	310	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK1 (unknown origin) (37 to 341 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2 (Homo sapiens (Human))	BDBM50520278 (CHEMBL4569209) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cn[nH]c1C Show InChI InChI=1S/C19H20N4O2/c1-11(2)25-18-7-13(4-5-16(18)19(20)24)14-6-15(9-21-8-14)17-10-22-23-12(17)3/h4-11H,1-3H3,(H2,20,24)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of MNK1/MNK2 in human HeLa cells overexpressing eIF4E assessed as reduction in eIF4E phosphorylation at Ser209 residue after 2 hrs by Alph...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50520291 (CHEMBL4450463) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cccnc1 Show InChI InChI=1S/C15H16N2O2/c1-10(2)19-14-8-11(5-6-13(14)15(16)18)12-4-3-7-17-9-12/h3-10H,1-2H3,(H2,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
Protein kinase C iota type (Homo sapiens (Human))	BDBM50526582 (CHEMBL4471416) Show SMILES Nc1ncc(cc1C(=O)Nc1ccncc1)-c1cccc(c1)N1CCNCC1 Show InChI InChI=1S/C21H22N6O/c22-20-19(21(28)26-17-4-6-23-7-5-17)13-16(14-25-20)15-2-1-3-18(12-15)27-10-8-24-9-11-27/h1-7,12-14,24H,8-11H2,(H2,22,25)(H,23,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
ASTAR Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-fused PKCi (1 to 587 residues) expressed in baculovirus expression system using 5-FAM-RFAR...				ACS Med Chem Lett 10: 318-323 (2019) Article DOI: 10.1021/acsmedchemlett.8b00546 BindingDB Entry DOI: 10.7270/Q2348PT0
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50520275 (CHEMBL4457368) Show SMILES Cn1cc(cn1)-c1cncc(c1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C16H14N4O/c1-20-10-15(9-19-20)14-6-13(7-18-8-14)11-2-4-12(5-3-11)16(17)21/h2-10H,1H3,(H2,17,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502426 (CHEMBL4448008) Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 Show InChI InChI=1S/C23H28ClN3O3/c1-2-3-14-30-23(29)27-12-10-26(11-13-27)22(28)16-8-9-18-20(15-16)25-19-7-5-4-6-17(19)21(18)24/h8-9,15H,2-7,10-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2 (Homo sapiens (Human))	BDBM50520292 (CHEMBL4462099) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1c[nH]nc1C1CC1 Show InChI InChI=1S/C21H22N4O2/c1-12(2)27-19-8-14(5-6-17(19)21(22)26)15-7-16(10-23-9-15)18-11-24-25-20(18)13-3-4-13/h5-13H,3-4H2,1-2H3,(H2,22,26)(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of MNK1/MNK2 in human HeLa cells overexpressing eIF4E assessed as reduction in eIF4E phosphorylation at Ser209 residue after 2 hrs by Alph...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502415 (CHEMBL4579512) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(C)cc1 Show InChI InChI=1S/C25H26ClN3O3/c1-3-14-32-25(31)29-12-10-28(11-13-29)24(30)19-8-9-20-21(26)16-22(27-23(20)15-19)18-6-4-17(2)5-7-18/h4-9,15-16H,3,10-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502438 (CHEMBL4530816) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 Show InChI InChI=1S/C22H26ClN3O3/c1-2-13-29-22(28)26-11-9-25(10-12-26)21(27)15-7-8-17-19(14-15)24-18-6-4-3-5-16(18)20(17)23/h7-8,14H,2-6,9-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50520280 (CHEMBL4444307) Show SMILES COc1ccc(Nc2nccc(n2)-c2sc(=O)n(C)c2C)c(OC)c1 Show InChI InChI=1S/C17H18N4O3S/c1-10-15(25-17(22)21(10)2)13-7-8-18-16(20-13)19-12-6-5-11(23-3)9-14(12)24-4/h5-9H,1-4H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of MNK2 (unknown origin) using Km ATP by radiometric assay				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM50578087 (CHEMBL4871523) Show SMILES COc1ccc(cc1)-n1cc(cn1)-c1n[nH]c2cc(Cl)c(N[C@@H]3CCNC3)cc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	374	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of K5 tracer from Axl (unknown origin) expressed in human HEK293 cells cotransfected with NanoLuc measured after 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116437 BindingDB Entry DOI: 10.7270/Q2H70KN7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502428 (CHEMBL4584168) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCC(CN)Cc3nc2c1 Show InChI InChI=1S/C23H29ClN4O3/c1-2-11-31-23(30)28-9-7-27(8-10-28)22(29)16-4-6-18-20(13-16)26-19-12-15(14-25)3-5-17(19)21(18)24/h4,6,13,15H,2-3,5,7-12,14,25H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre Curated by ChEMBL					Assay Description Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...				ACS Med Chem Lett 10: 978-984 (2019) Article DOI: 10.1021/acsmedchemlett.9b00170 BindingDB Entry DOI: 10.7270/Q23B63DW
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2 (Homo sapiens (Human))	BDBM50520256 (CHEMBL4443472) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C1CCOC1 Show InChI InChI=1S/C22H24N4O3/c1-14(2)29-21-8-15(3-4-20(21)22(23)27)16-7-17(10-24-9-16)18-11-25-26(12-18)19-5-6-28-13-19/h3-4,7-12,14,19H,5-6,13H2,1-2H3,(H2,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of MNK1/MNK2 in human HeLa cells overexpressing eIF4E assessed as reduction in eIF4E phosphorylation at Ser209 residue after 2 hrs by Alph...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50520255 (CHEMBL4465294) Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)N1CCOCC1 Show InChI InChI=1S/C19H23N3O3/c1-13(2)25-18-10-14(3-4-17(18)19(20)23)15-9-16(12-21-11-15)22-5-7-24-8-6-22/h3-4,9-13H,5-8H2,1-2H3,(H2,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582 BindingDB Entry DOI: 10.7270/Q27084T7
					More data for this Ligand-Target Pair

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