Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'chia' and Initial = 'bcs'   

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
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
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
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
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))	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))	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
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)
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
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
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))	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
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50502418 (CHEMBL4532072) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCC(C)Cc3nc2c1 Show InChI InChI=1S/C23H28ClN3O3/c1-3-12-30-23(29)27-10-8-26(9-11-27)22(28)16-5-7-18-20(14-16)25-19-13-15(2)4-6-17(19)21(18)24/h5,7,14-15H,3-4,6,8-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	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))	BDBM50502419 (CHEMBL4462956) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CC(CN)CCc3nc2c1 Show InChI InChI=1S/C23H29ClN4O3/c1-2-11-31-23(30)28-9-7-27(8-10-28)22(29)16-4-5-17-20(13-16)26-19-6-3-15(14-25)12-18(19)21(17)24/h4-5,13,15H,2-3,6-12,14,25H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	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))	BDBM50502435 (CHEMBL4541197) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CC(C)CCc3nc2c1 Show InChI InChI=1S/C23H28ClN3O3/c1-3-12-30-23(29)27-10-8-26(9-11-27)22(28)16-5-6-17-20(14-16)25-19-7-4-15(2)13-18(19)21(17)24/h5-6,14-15H,3-4,7-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	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))	BDBM50502437 (CHEMBL4459513) Show SMILES CCCCC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 Show InChI InChI=1S/C23H28ClN3O2/c1-2-3-8-21(28)26-11-13-27(14-12-26)23(29)16-9-10-18-20(15-16)25-19-7-5-4-6-17(19)22(18)24/h9-10,15H,2-8,11-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.52E+3	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))	BDBM50502417 (CHEMBL4445957) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)ccnc2c1 Show InChI InChI=1S/C18H20ClN3O3/c1-2-11-25-18(24)22-9-7-21(8-10-22)17(23)13-3-4-14-15(19)5-6-20-16(14)12-13/h3-6,12H,2,7-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	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))	BDBM50502425 (CHEMBL1511440) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 Show InChI InChI=1S/C21H24ClN3O3/c1-2-28-21(27)25-11-9-24(10-12-25)20(26)14-7-8-16-18(13-14)23-17-6-4-3-5-15(17)19(16)22/h7-8,13H,2-6,9-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.78E+3	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))	BDBM50502432 (CHEMBL4450161) Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3C(C)CCCc3nc2c1 Show InChI InChI=1S/C23H28ClN3O3/c1-3-13-30-23(29)27-11-9-26(10-12-27)22(28)16-7-8-17-19(14-16)25-18-6-4-5-15(2)20(18)21(17)24/h7-8,14-15H,3-6,9-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	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))	BDBM50502420 (CHEMBL4467704) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCCc3nc2c1 Show InChI InChI=1S/C22H26ClN3O3/c1-2-29-22(28)26-12-10-25(11-13-26)21(27)15-8-9-17-19(14-15)24-18-7-5-3-4-6-16(18)20(17)23/h8-9,14H,2-7,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.04E+4	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))	BDBM50502421 (CHEMBL4466228) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCc3nc2c1 Show InChI InChI=1S/C20H22ClN3O3/c1-2-27-20(26)24-10-8-23(9-11-24)19(25)13-6-7-15-17(12-13)22-16-5-3-4-14(16)18(15)21/h6-7,12H,2-5,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.05E+4	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))	BDBM50502430 (CHEMBL4460269) Show SMILES COC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 Show InChI InChI=1S/C20H22ClN3O3/c1-27-20(26)24-10-8-23(9-11-24)19(25)13-6-7-15-17(12-13)22-16-5-3-2-4-14(16)18(15)21/h6-7,12H,2-5,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+5	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))	BDBM50502424 (CHEMBL4593854) Show SMILES NCCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 Show InChI InChI=1S/C21H25ClN4O3/c22-19-15-3-1-2-4-17(15)24-18-13-14(5-6-16(18)19)20(27)25-8-10-26(11-9-25)21(28)29-12-7-23/h5-6,13H,1-4,7-12,23H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+5	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))	BDBM50502431 (CHEMBL4453340) Show SMILES CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2ccc(nc2c1)-c1ccccc1 |r| Show InChI InChI=1S/C25H27N3O3/c1-3-15-31-25(30)28-14-13-27(17-18(28)2)24(29)21-10-9-20-11-12-22(26-23(20)16-21)19-7-5-4-6-8-19/h4-12,16,18H,3,13-15,17H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+5	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))	BDBM50502422 (CHEMBL4438454) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(C)c3CCCCc3nc2c1 Show InChI InChI=1S/C22H27N3O3/c1-3-28-22(27)25-12-10-24(11-13-25)21(26)16-8-9-18-15(2)17-6-4-5-7-19(17)23-20(18)14-16/h8-9,14H,3-7,10-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>7.50E+5	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))	BDBM50502423 (CHEMBL4518844) Show SMILES NCCCC(=O)N1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1 Show InChI InChI=1S/C22H27ClN4O2/c23-21-16-4-1-2-5-18(16)25-19-14-15(7-8-17(19)21)22(29)27-12-10-26(11-13-27)20(28)6-3-9-24/h7-8,14H,1-6,9-13,24H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>7.50E+5	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))	BDBM50502412 (CHEMBL4533652) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)c1ccc2cc3CCCCc3nc2c1 Show InChI InChI=1S/C21H25N3O3/c1-2-27-21(26)24-11-9-23(10-12-24)20(25)17-8-7-16-13-15-5-3-4-6-18(15)22-19(16)14-17/h7-8,13-14H,2-6,9-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	>7.50E+5	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)