Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'sepramaniam' and Initial = 's'   

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)
Protein kinase C iota type (Homo sapiens (Human))	BDBM50455611 (CHEMBL4212424) Show SMILES COc1cc2CC(CF)NCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C10H14N2O3S2/c1-2-3-12-6-8-4-7-5-9(17(11,13)14)15-10(7)16-8/h4-5,12H,2-3,6H2,1H3,(H2,11,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C iota type (Homo sapiens (Human))	BDBM50455569 (CHEMBL4202753) Show SMILES COc1cc2CCNCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C24H21N5O/c1-30-23-12-15-2-6-25-13-17(15)10-20(23)21-14-28-29-9-5-16(11-22(21)29)18-3-7-26-24-19(18)4-8-27-24/h3-5,7-12,14,25H,2,6,13H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C iota type (Homo sapiens (Human))	BDBM50455593 (CHEMBL4208685) Show SMILES COc1cc2CC(C)NCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C25H23N5O/c1-15-9-17-12-24(31-2)21(10-18(17)13-28-15)22-14-29-30-8-5-16(11-23(22)30)19-3-6-26-25-20(19)4-7-27-25/h3-8,10-12,14-15,28H,9,13H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C iota type (Homo sapiens (Human))	BDBM50455592 (CHEMBL4206065) Show SMILES COc1cc2CN(C)Cc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C24H21N5O/c1-28-13-16-9-20(23(30-2)11-17(16)14-28)21-12-27-29-8-5-15(10-22(21)29)18-3-6-25-24-19(18)4-7-26-24/h3-12H,13-14H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt 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
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C iota type (Homo sapiens (Human))	BDBM50455602 (CHEMBL4216507) Show SMILES COc1cc2CNCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H19N5O/c1-29-22-10-16-12-24-11-15(16)8-19(22)20-13-27-28-7-4-14(9-21(20)28)17-2-5-25-23-18(17)3-6-26-23/h2-10,13,24H,11-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia 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
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C zeta type (Homo sapiens (Human))	BDBM50455589 (CHEMBL4213984) Show SMILES COc1cc2CNCc2cc1-n1cnc2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H19N5O/c1-29-22-10-16-12-24-11-15(16)9-21(22)28-13-27-19-3-2-14(8-20(19)28)17-4-6-25-23-18(17)5-7-26-23/h2-10,13,24H,11-12H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-zeta expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
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
Protein kinase C iota type (Homo sapiens (Human))	BDBM50455566 (CHEMBL4208028) Show SMILES COc1cc2CNCc2cc1-n1cnc2cnc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C22H18N6O/c1-29-21-7-14-10-23-9-13(14)6-20(21)28-12-27-18-11-26-17(8-19(18)28)15-2-4-24-22-16(15)3-5-25-22/h2-8,11-12,23H,9-10H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50455611 (CHEMBL4212424) Show SMILES COc1cc2CC(CF)NCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C10H14N2O3S2/c1-2-3-12-6-8-4-7-5-9(17(11,13)14)15-10(7)16-8/h4-5,12H,2-3,6H2,1H3,(H2,11,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-alpha expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate aft...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50455611 (CHEMBL4212424) Show SMILES COc1cc2CC(CF)NCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C10H14N2O3S2/c1-2-3-12-6-8-4-7-5-9(17(11,13)14)15-10(7)16-8/h4-5,12H,2-3,6H2,1H3,(H2,11,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-epsilon expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate a...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C iota type (Homo sapiens (Human))	BDBM50455589 (CHEMBL4213984) Show SMILES COc1cc2CNCc2cc1-n1cnc2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H19N5O/c1-29-22-10-16-12-24-11-15(16)9-21(22)28-13-27-19-3-2-14(8-20(19)28)17-4-6-25-23-18(17)5-7-26-23/h2-10,13,24H,11-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50455593 (CHEMBL4208685) Show SMILES COc1cc2CC(C)NCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C25H23N5O/c1-15-9-17-12-24(31-2)21(10-18(17)13-28-15)22-14-29-30-8-5-16(11-23(22)30)19-3-6-26-25-20(19)4-7-27-25/h3-8,10-12,14-15,28H,9,13H2,1-2H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-alpha expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate aft...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C iota type (Homo sapiens (Human))	BDBM50455594 (CHEMBL4212934) Show SMILES COc1cc2CNCc2cc1-n1cnc2ccc(nc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C22H18N6O/c1-29-20-9-14-11-23-10-13(14)8-19(20)28-12-26-18-3-2-17(27-22(18)28)15-4-6-24-21-16(15)5-7-25-21/h2-9,12,23H,10-11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					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
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50455569 (CHEMBL4202753) Show SMILES COc1cc2CCNCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C24H21N5O/c1-30-23-12-15-2-6-25-13-17(15)10-20(23)21-14-28-29-9-5-16(11-22(21)29)18-3-7-26-24-19(18)4-8-27-24/h3-5,7-12,14,25H,2,6,13H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-alpha expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate aft...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C iota type (Homo sapiens (Human))	BDBM50455610 (CHEMBL4211722) Show SMILES COc1cc2CNCc2cc1-c1cnn2ccc(nc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C22H18N6O/c1-29-20-9-14-11-23-10-13(14)8-17(20)18-12-26-28-7-4-19(27-22(18)28)15-2-5-24-21-16(15)3-6-25-21/h2-9,12,23H,10-11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50455602 (CHEMBL4216507) Show SMILES COc1cc2CNCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H19N5O/c1-29-22-10-16-12-24-11-15(16)8-19(22)20-13-27-28-7-4-14(9-21(20)28)17-2-5-25-23-18(17)3-6-26-23/h2-10,13,24H,11-12H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-alpha expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate aft...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C iota type (Homo sapiens (Human))	BDBM50455588 (CHEMBL4208982) Show SMILES COc1cc(CN)ccc1-n1cnc2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C22H19N5O/c1-28-21-10-14(12-23)2-5-19(21)27-13-26-18-4-3-15(11-20(18)27)16-6-8-24-22-17(16)7-9-25-22/h2-11,13H,12,23H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia 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
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50455592 (CHEMBL4206065) Show SMILES COc1cc2CN(C)Cc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C24H21N5O/c1-28-13-16-9-20(23(30-2)11-17(16)14-28)21-12-27-29-8-5-15(10-22(21)29)18-3-6-25-24-19(18)4-7-26-24/h3-12H,13-14H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-alpha expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate aft...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					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
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50455593 (CHEMBL4208685) Show SMILES COc1cc2CC(C)NCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C25H23N5O/c1-15-9-17-12-24(31-2)21(10-18(17)13-28-15)22-14-29-30-8-5-16(11-23(22)30)19-3-6-26-25-20(19)4-7-27-25/h3-8,10-12,14-15,28H,9,13H2,1-2H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-epsilon expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate a...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50455602 (CHEMBL4216507) Show SMILES COc1cc2CNCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H19N5O/c1-29-22-10-16-12-24-11-15(16)8-19(22)20-13-27-28-7-4-14(9-21(20)28)17-2-5-25-23-18(17)3-6-26-23/h2-10,13,24H,11-12H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-epsilon expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate a...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					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
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50455566 (CHEMBL4208028) Show SMILES COc1cc2CNCc2cc1-n1cnc2cnc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C22H18N6O/c1-29-21-7-14-10-23-9-13(14)6-20(21)28-12-27-18-11-26-17(8-19(18)28)15-2-4-24-22-16(15)3-5-25-22/h2-8,11-12,23H,9-10H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-alpha expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate aft...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					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 alpha type (Homo sapiens (Human))	BDBM50455589 (CHEMBL4213984) Show SMILES COc1cc2CNCc2cc1-n1cnc2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H19N5O/c1-29-22-10-16-12-24-11-15(16)9-21(22)28-13-27-19-3-2-14(8-20(19)28)17-4-6-25-23-18(17)5-7-26-23/h2-10,13,24H,11-12H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-alpha expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate aft...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C iota type (Homo sapiens (Human))	BDBM50455568 (CHEMBL4215492) Show SMILES C1NCc2cc(ccc12)-n1cnc2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C22H17N5/c1-3-17(9-16-12-23-11-15(1)16)27-13-26-20-4-2-14(10-21(20)27)18-5-7-24-22-19(18)6-8-25-22/h1-10,13,23H,11-12H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					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)
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50455590 (CHEMBL4206023) Show SMILES COc1cc2CNCc2cc1-c1cnc2ccc(cn12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H19N5O/c1-29-21-9-16-11-24-10-15(16)8-19(21)20-12-27-22-3-2-14(13-28(20)22)17-4-6-25-23-18(17)5-7-26-23/h2-9,12-13,24H,10-11H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-alpha expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate aft...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50455569 (CHEMBL4202753) Show SMILES COc1cc2CCNCc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C24H21N5O/c1-30-23-12-15-2-6-25-13-17(15)10-20(23)21-14-28-29-9-5-16(11-22(21)29)18-3-7-26-24-19(18)4-8-27-24/h3-5,7-12,14,25H,2,6,13H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-epsilon expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate a...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50455610 (CHEMBL4211722) Show SMILES COc1cc2CNCc2cc1-c1cnn2ccc(nc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C22H18N6O/c1-29-20-9-14-11-23-10-13(14)8-17(20)18-12-26-28-7-4-19(27-22(18)28)15-2-5-24-21-16(15)3-6-25-21/h2-9,12,23H,10-11H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-alpha expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate aft...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
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
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50455591 (CHEMBL4215391) Show SMILES COc1cc2CN(Cc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12)C(C)=O Show InChI InChI=1S/C25H21N5O2/c1-15(31)29-13-17-9-21(24(32-2)11-18(17)14-29)22-12-28-30-8-5-16(10-23(22)30)19-3-6-26-25-20(19)4-7-27-25/h3-12H,13-14H2,1-2H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-alpha expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate aft...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50455594 (CHEMBL4212934) Show SMILES COc1cc2CNCc2cc1-n1cnc2ccc(nc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C22H18N6O/c1-29-20-9-14-11-23-10-13(14)8-19(20)28-12-26-18-3-2-17(27-22(18)28)15-4-6-24-21-16(15)5-7-25-21/h2-9,12,23H,10-11H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-alpha expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate aft...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50455592 (CHEMBL4206065) Show SMILES COc1cc2CN(C)Cc2cc1-c1cnn2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C24H21N5O/c1-28-13-16-9-20(23(30-2)11-17(16)14-28)21-12-27-29-8-5-15(10-22(21)29)18-3-6-25-24-19(18)4-7-26-24/h3-12H,13-14H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-epsilon expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate a...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50455566 (CHEMBL4208028) Show SMILES COc1cc2CNCc2cc1-n1cnc2cnc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C22H18N6O/c1-29-21-7-14-10-23-9-13(14)6-20(21)28-12-27-18-11-26-17(8-19(18)28)15-2-4-24-22-16(15)3-5-25-22/h2-8,11-12,23H,9-10H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-epsilon expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate a...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50455589 (CHEMBL4213984) Show SMILES COc1cc2CNCc2cc1-n1cnc2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H19N5O/c1-29-22-10-16-12-24-11-15(16)9-21(22)28-13-27-19-3-2-14(8-20(19)28)17-4-6-25-23-18(17)5-7-26-23/h2-10,13,24H,11-12H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-epsilon expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate a...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50455610 (CHEMBL4211722) Show SMILES COc1cc2CNCc2cc1-c1cnn2ccc(nc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C22H18N6O/c1-29-20-9-14-11-23-10-13(14)8-17(20)18-12-26-28-7-4-19(27-22(18)28)15-2-5-24-21-16(15)3-6-25-21/h2-9,12,23H,10-11H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-epsilon expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate a...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C iota type (Homo sapiens (Human))	BDBM50455590 (CHEMBL4206023) Show SMILES COc1cc2CNCc2cc1-c1cnc2ccc(cn12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H19N5O/c1-29-21-9-16-11-24-10-15(16)8-19(21)20-12-27-22-3-2-14(13-28(20)22)17-4-6-25-23-18(17)5-7-26-23/h2-9,12-13,24H,10-11H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair
Protein kinase C iota type (Homo sapiens (Human))	BDBM50455587 (CHEMBL4205851) Show SMILES NCc1ccc(cc1)-n1cnc2ccc(cc12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C21H17N5/c22-12-14-1-4-16(5-2-14)26-13-25-19-6-3-15(11-20(19)26)17-7-9-23-21-18(17)8-10-24-21/h1-11,13H,12,22H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate afte...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					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
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50455590 (CHEMBL4206023) Show SMILES COc1cc2CNCc2cc1-c1cnc2ccc(cn12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H19N5O/c1-29-21-9-16-11-24-10-15(16)8-19(21)20-12-27-22-3-2-14(13-28(20)22)17-4-6-25-23-18(17)5-7-26-23/h2-9,12-13,24H,10-11H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal GST-fused human PKC-epsilon expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate a...				J Med Chem 61: 4386-4396 (2018) Article DOI: 10.1021/acs.jmedchem.8b00060 BindingDB Entry DOI: 10.7270/Q2V69N5Z
					More data for this Ligand-Target Pair

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