Compile Data Set for Download or QSAR

Found 1936 hits of ic50 data for polymerid = 4753,50006179,50006495,7698,9633   

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
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM50243294 (CHEMBL4094513) Show SMILES CN(CCN)Cc1ccccc1Sc1ccccc1Cl Show InChI InChI=1S/C16H19ClN2S/c1-19(11-10-18)12-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2-9H,10-12,18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Sci-Tech University Curated by ChEMBL					Assay Description Inhibition of PRMT8 (unknown origin) incubated for 15 mins followed by substrate addition measured after 60 mins by AlphaLisa method				J Med Chem 60: 8888-8905 (2017) Article DOI: 10.1021/acs.jmedchem.7b01134 BindingDB Entry DOI: 10.7270/Q27D2XHK
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 (Rattus norvegicus)	BDBM50243294 (CHEMBL4094513) Show SMILES CN(CCN)Cc1ccccc1Sc1ccccc1Cl Show InChI InChI=1S/C16H19ClN2S/c1-19(11-10-18)12-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2-9H,10-12,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Sci-Tech University Curated by ChEMBL					Assay Description Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) incubated for 15 mins followed by substrate addition ...				J Med Chem 60: 8888-8905 (2017) Article DOI: 10.1021/acs.jmedchem.7b01134 BindingDB Entry DOI: 10.7270/Q27D2XHK
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM378746 (N-(1-((1-(4-chlorobenzyl)-1H-pyrazol-4-yl)methyl)a...) Show SMILES Clc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cc(cnn3)C3CC3)cn2)cc1 Show InChI InChI=1S/C22H23ClN6O/c23-19-5-1-15(2-6-19)11-29-12-16(8-25-29)10-28-13-20(14-28)26-22(30)21-7-18(9-24-27-21)17-3-4-17/h1-2,5-9,12,17,20H,3-4,10-11,13-14H2,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
ENSCMu					Assay Description The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...				Bioorg Med Chem 14: 7241-57 (2006) BindingDB Entry DOI: 10.7270/Q2DJ5HX2
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM50095355 (CHEMBL3589029) Show SMILES CN(CCN)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H22N4O/c1-23(12-11-20)14-16-13-21-22-19(16)15-7-9-18(10-8-15)24-17-5-3-2-4-6-17/h2-10,13H,11-12,14,20H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged full-length human PRMT8 expressed in Escherichia coli (BL21(DE3) pre-incubated for 30 mins before addition of a [...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM283143 ((2R)—N-[1-{N′-cyano-N-[3-(difluorometho...) Show SMILES CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)[C@@H](C)O |r,w:3.2,c:6| Show InChI InChI=1S/C23H22Cl2F2N6O3/c1-3-32(21(35)13(2)34)19-11-33(31-20(19)14-7-8-17(24)18(25)9-14)23(29-12-28)30-15-5-4-6-16(10-15)36-22(26)27/h4-10,13,19,22,34H,3,11H2,1-2H3,(H,29,30)/t13-,19?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.64	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description For the detection of SMYD2 cellular methylation activity an In Cell Western (ICW) assay was established. This assay allows rapid processing of multip...				US Patent US10023539 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RKD
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM50095537 (CHEMBL3590526 | US9598381, 1a (S enantiomer)) Show SMILES O[C@@H](CNCCN(C1CCCCC1)C(=O)CCNCCc1ccc(Cl)c(Cl)c1)c1cccc2NC(=O)COc12 |r| Show InChI InChI=1S/C23H22N2O2/c26-23-21(22(27-25-23)15-9-11-24-12-10-15)14-20-18-7-3-1-5-16(18)13-17-6-2-4-8-19(17)20/h1-8,13,15,24H,9-12,14H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of SMYD2 (unknown origin) using biotinylated GSRAHSSHLKSKKGQSTSRH as substrate assessed as incorporation of tritium labeled methyl group f...				ACS Med Chem Lett 6: 695-700 (2015) Article DOI: 10.1021/acsmedchemlett.5b00124 BindingDB Entry DOI: 10.7270/Q2KP83X5
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM378802 (N-(1-((1-(4-chlorobenzyl)-1H-pyrazol-4-yl)methyl)a...) Show SMILES Clc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)cc1 Show InChI InChI=1S/C20H22ClN7O/c21-16-3-1-14(2-4-16)9-27-10-15(7-22-27)8-26-11-17(12-26)23-20(29)19-13-28(25-24-19)18-5-6-18/h1-4,7,10,13,17-18H,5-6,8-9,11-12H2,(H,23,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00325 BindingDB Entry DOI: 10.7270/Q2M330R7
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM50599376 (CHEMBL3819011) Show SMILES O[C@@H](CNCCN(C1CCCCC1)C(=O)CCNCCc1ccc(Cl)c(Cl)c1)c1ccc(O)c2NC(=O)COc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113880 BindingDB Entry DOI: 10.7270/Q2B56PS9
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM378747 (N-(1-((1-(4-chlorobenzyl)-1H-pyrazol-4-yl)methyl)a...) Show SMILES Clc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cc(ccn3)C3CC3)cn2)cc1 Show InChI InChI=1S/C23H24ClN5O/c24-20-5-1-16(2-6-20)12-29-13-17(10-26-29)11-28-14-21(15-28)27-23(30)22-9-19(7-8-25-22)18-3-4-18/h1-2,5-10,13,18,21H,3-4,11-12,14-15H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
ENSCMu					Assay Description The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...				Bioorg Med Chem 14: 7241-57 (2006) BindingDB Entry DOI: 10.7270/Q2DJ5HX2
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM378802 (N-(1-((1-(4-chlorobenzyl)-1H-pyrazol-4-yl)methyl)a...) Show SMILES Clc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)cc1 Show InChI InChI=1S/C20H22ClN7O/c21-16-3-1-14(2-4-16)9-27-10-15(7-22-27)8-26-11-17(12-26)23-20(29)19-13-28(25-24-19)18-5-6-18/h1-4,7,10,13,17-18H,5-6,8-9,11-12H2,(H,23,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
ENSCMu					Assay Description The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...				Bioorg Med Chem 14: 7241-57 (2006) BindingDB Entry DOI: 10.7270/Q2DJ5HX2
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM378802 (N-(1-((1-(4-chlorobenzyl)-1H-pyrazol-4-yl)methyl)a...) Show SMILES Clc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3cn(nn3)C3CC3)cn2)cc1 Show InChI InChI=1S/C20H22ClN7O/c21-16-3-1-14(2-4-16)9-27-10-15(7-22-27)8-26-11-17(12-26)23-20(29)19-13-28(25-24-19)18-5-6-18/h1-4,7,10,13,17-18H,5-6,8-9,11-12H2,(H,23,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00325 BindingDB Entry DOI: 10.7270/Q2M330R7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM178103 (MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...) Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRMT8 (unknown origin) by scintillation proximity assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02160 BindingDB Entry DOI: 10.7270/Q20V8HN0
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM512404 (acs.jmedchem.1c00409_ST.1) Show SMILES COc1cccc2[nH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(=O)CO Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This is a review article. Please point to the original journal.				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00409 BindingDB Entry DOI: 10.7270/Q2J1069F
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM178103 (MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...) Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PRMT8 (unknown origin) using biotinylated histone H4 (1 to 24 residues) as substrate in presence of [3H]SAM by scintillation proximity ...				J Med Chem 62: 5414-5433 (2019) Article DOI: 10.1021/acs.jmedchem.9b00297 BindingDB Entry DOI: 10.7270/Q289199B
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PDB UniChem	WIPO WO2005113580	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc.					Assay Description The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...				WIPO (2005) BindingDB Entry DOI: 10.7270/Q2PV6NRF
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PDB UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM178103 (MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...) Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of human PRMT8 assessed as inhibition of methylation activity using biotin-labeled peptide as substrate and [3H]-SAM by scintillation prox...				J Med Chem 59: 9124-9139 (2016) Article DOI: 10.1021/acs.jmedchem.6b01033 BindingDB Entry DOI: 10.7270/Q2028TGJ
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PDB UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR					Assay Description The assays are from references cited in this article.				Bioorg Med Chem Lett 48: 128263 (2021) Article DOI: 10.1016/j.bmcl.2021.128263 BindingDB Entry DOI: 10.7270/Q27084H6
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM178103 (MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...) Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	1.30	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto					Assay Description In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin ...				ACS Chem Biol 11: 772-81 (2016) Article DOI: 10.1021/acschembio.5b00839 BindingDB Entry DOI: 10.7270/Q2765D4H
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 (Rattus norvegicus)	BDBM50243294 (CHEMBL4094513) Show SMILES CN(CCN)Cc1ccccc1Sc1ccccc1Cl Show InChI InChI=1S/C16H19ClN2S/c1-19(11-10-18)12-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2-9H,10-12,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Sci-Tech University Curated by ChEMBL					Assay Description Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...				J Med Chem 60: 8888-8905 (2017) Article DOI: 10.1021/acs.jmedchem.7b01134 BindingDB Entry DOI: 10.7270/Q27D2XHK
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM283194 (Rac-N-[1-(N′-cyano-N-{5-(difluoromethoxy)-2-...) Show SMILES CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(OC(F)F)ccc1OCCCN(C)C)=N/C#N)C(=O)CO |w:3.2,c:6| Show InChI InChI=1S/C27H31Cl2F2N7O4/c1-4-37(24(40)15-39)22-14-38(35-25(22)17-6-8-19(28)20(29)12-17)27(33-16-32)34-21-13-18(42-26(30)31)7-9-23(21)41-11-5-10-36(2)3/h6-9,12-13,22,26,39H,4-5,10-11,14-15H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.55	n/a	n/a	n/a	n/a	9.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description SMYD2 inhibitory activities of the compounds described in the present invention were quantified using a scintillation proximity assay (SPA) which mea...				US Patent US10023539 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RKD
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM50095536 (CHEMBL3590527 | US9598381, 1 (racemate)) Show SMILES O[C@H](CNCCN(C1CCCCC1)C(=O)CCNCCc1ccc(Cl)c(Cl)c1)c1cccc2NC(=O)COc12 |r| Show InChI InChI=1S/C20H22N2O2/c23-20-18(19(24-22-20)16-9-11-21-12-10-16)8-6-14-5-7-15-3-1-2-4-17(15)13-14/h1-5,7,13,16,21H,6,8-12H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of SMYD2 (unknown origin) using biotinylated GSRAHSSHLKSKKGQSTSRH as substrate assessed as incorporation of tritium labeled methyl group f...				ACS Med Chem Lett 6: 695-700 (2015) Article DOI: 10.1021/acsmedchemlett.5b00124 BindingDB Entry DOI: 10.7270/Q2KP83X5
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM50519299 (CHEMBL4536230) Show SMILES Cc1nc(N)c2ncn(C3CN(C3)C(=O)c3ccn(CC4CCN(CC4)C4CCCCC=C4)c3)c2n1 |c:33| Show InChI InChI=1S/C27H36N8O/c1-19-30-25(28)24-26(31-19)35(18-29-24)23-16-34(17-23)27(36)21-10-11-32(15-21)14-20-8-12-33(13-9-20)22-6-4-2-3-5-7-22/h4,6,10-11,15,18,20,22-23H,2-3,5,7-9,12-14,16-17H2,1H3,(H2,28,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SMYD2 (1 to 433 residues) expressed in baculovirus infected Sf9 insect cells using biotinylated-p53 peptide (361 to 3...				J Med Chem 62: 7669-7683 (2019) Article DOI: 10.1021/acs.jmedchem.9b00112 BindingDB Entry DOI: 10.7270/Q2R78JK4
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 (Rattus norvegicus)	BDBM50243295 (CHEMBL4084293) Show SMILES CNCCN(C)Cc1ccccc1Sc1ccccc1Cl Show InChI InChI=1S/C17H21ClN2S/c1-19-11-12-20(2)13-14-7-3-5-9-16(14)21-17-10-6-4-8-15(17)18/h3-10,19H,11-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Sci-Tech University Curated by ChEMBL					Assay Description Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as s...				J Med Chem 60: 8888-8905 (2017) Article DOI: 10.1021/acs.jmedchem.7b01134 BindingDB Entry DOI: 10.7270/Q27D2XHK
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496954 (cmdc.202100576, 22b) Show SMILES CC(C)(C)NC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccc(OCN2CCOCC2)cc1 Show InChI InChI=1S/C47H62N6O9/c1-47(2,3)52-45(58)41(54)38(28-35-20-21-48-42(35)55)49-43(56)39(26-31-10-5-4-6-11-31)50-44(57)40(27-34-14-9-13-33-12-7-8-15-37(33)34)51-46(59)61-29-32-16-18-36(19-17-32)62-30-53-22-24-60-25-23-53/h7-9,12-19,31,35,38-40H,4-6,10-11,20-30H2,1-3H3,(H,48,55)(H,49,56)(H,50,57)(H,51,59)(H,52,58)/t35-,38-,39-,40-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM283173 (N-[1-{N′-cyano-N-[2-methoxy-5-(trifluorometh...) Show SMILES CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(ccc1OC)C(F)(F)F)=N/C#N)C(=O)CO |c:6| Show InChI InChI=1S/C23H21Cl2F3N6O3/c1-3-33(20(36)11-35)18-10-34(32-21(18)13-4-6-15(24)16(25)8-13)22(30-12-29)31-17-9-14(23(26,27)28)5-7-19(17)37-2/h4-9,18,35H,3,10-11H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.65	n/a	n/a	n/a	n/a	9.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description SMYD2 inhibitory activities of the compounds described in the present invention were quantified using a scintillation proximity assay (SPA) which mea...				US Patent US10023539 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RKD
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496955 (cmdc.202100576, 22c) Show SMILES COC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC(C)C Show InChI InChI=1S/C30H45N5O8/c1-17(2)14-23(27(38)33-22(15-21-12-13-31-26(21)37)25(36)29(40)32-18(3)4)34-28(39)24(19(5)42-6)35-30(41)43-16-20-10-8-7-9-11-20/h7-11,17-19,21-24H,12-16H2,1-6H3,(H,31,37)(H,32,40)(H,33,38)(H,34,39)(H,35,41)/t19?,21-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496956 (cmdc.202100576, 22d) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C31H48N6O7/c1-19(2)15-23(34-28(41)24(17-37(6)7)35-30(43)44-18-20-11-9-8-10-12-20)27(40)33-22(16-21-13-14-32-26(21)39)25(38)29(42)36-31(3,4)5/h8-12,19,21-24H,13-18H2,1-7H3,(H,32,39)(H,33,40)(H,34,41)(H,35,43)(H,36,42)/t21-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496957 (cmdc.202100576, 22e) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CN1CCOCC1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC(C)C Show InChI InChI=1S/C32H48N6O8/c1-20(2)16-25(29(41)35-24(17-23-10-11-33-28(23)40)27(39)31(43)34-21(3)4)36-30(42)26(18-38-12-14-45-15-13-38)37-32(44)46-19-22-8-6-5-7-9-22/h5-9,20-21,23-26H,10-19H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,37,44)/t23-,24-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496958 (cmdc.202100576, 22f) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CN1CCC(F)CC1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC(C)C Show InChI InChI=1S/C33H49FN6O7/c1-20(2)16-26(30(43)37-25(17-23-10-13-35-29(23)42)28(41)32(45)36-21(3)4)38-31(44)27(18-40-14-11-24(34)12-15-40)39-33(46)47-19-22-8-6-5-7-9-22/h5-9,20-21,23-27H,10-19H2,1-4H3,(H,35,42)(H,36,45)(H,37,43)(H,38,44)(H,39,46)/t23-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM50095354 (CHEMBL3589030) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1[nH]ncc1CN(C)CCN Show InChI InChI=1S/C16H23ClN4O/c1-11(2)22-15-5-4-12(8-14(15)17)16-13(9-19-20-16)10-21(3)7-6-18/h4-5,8-9,11H,6-7,10,18H2,1-3H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged full-length human PRMT8 expressed in Escherichia coli (BL21(DE3) pre-incubated for 30 mins before addition of a [...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM476979 (peptidomimetic coronavirus 3CLpro inhibitors 17) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)N(C)C Show InChI InChI=1S/C29H43N5O7/c1-17(2)14-22(26(37)31-21(24(35)28(39)34(5)6)15-20-12-13-30-25(20)36)32-27(38)23(18(3)4)33-29(40)41-16-19-10-8-7-9-11-19/h7-11,17-18,20-23H,12-16H2,1-6H3,(H,30,36)(H,31,37)(H,32,38)(H,33,40)/t20-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR					Assay Description The assays are from references cited in this article.				Bioorg Med Chem Lett 48: 128263 (2021) Article DOI: 10.1016/j.bmcl.2021.128263 BindingDB Entry DOI: 10.7270/Q27084H6
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM512408 (acs.jmedchem.1c00409_ST.5) Show SMILES COc1cccc2[nH]c(cc12)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)C(=O)CO Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This is a review article. Please point to the original journal.				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00409 BindingDB Entry DOI: 10.7270/Q2J1069F
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM378750 (N-(1-((1-benzyl-1H-pyrazol-4-yl)methyl)azetidin-3-...) Show SMILES O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cc(cnn1)C1CC1 Show InChI InChI=1S/C22H24N6O/c29-22(21-8-19(10-23-26-21)18-6-7-18)25-20-14-27(15-20)11-17-9-24-28(13-17)12-16-4-2-1-3-5-16/h1-5,8-10,13,18,20H,6-7,11-12,14-15H2,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
ENSCMu					Assay Description The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...				Bioorg Med Chem 14: 7241-57 (2006) BindingDB Entry DOI: 10.7270/Q2DJ5HX2
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PDB UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR					Assay Description SARS-CoV-2 3CLpro expression and purification is based on a published procedure and our modified protocol is found in the supplementary file. A highl...				Bioorg Med Chem Lett 48: 128263 (2021) Article DOI: 10.1016/j.bmcl.2021.128263 BindingDB Entry DOI: 10.7270/Q27084H6
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM50519300 (CHEMBL4520134) Show SMILES Cc1cc2n(cnc2c(N)n1)C1(C)CN(C1)C(=O)c1ccn(CC2CCN(CC2)[C@@H]2CCCCC=C2)c1 |r,c:38| Show InChI InChI=1S/C29H39N7O/c1-21-15-25-26(27(30)32-21)31-20-36(25)29(2)18-35(19-29)28(37)23-11-12-33(17-23)16-22-9-13-34(14-10-22)24-7-5-3-4-6-8-24/h5,7,11-12,15,17,20,22,24H,3-4,6,8-10,13-14,16,18-19H2,1-2H3,(H2,30,32)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SMYD2 (1 to 433 residues) expressed in baculovirus infected Sf9 insect cells using biotinylated-p53 peptide (361 to 3...				J Med Chem 62: 7669-7683 (2019) Article DOI: 10.1021/acs.jmedchem.9b00112 BindingDB Entry DOI: 10.7270/Q2R78JK4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM476989 (TG-0205221) Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCNC1=O)C=O Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24?,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR					Assay Description SARS-CoV-2 3CLpro expression and purification is based on a published procedure and our modified protocol is found in the supplementary file. A highl...				Bioorg Med Chem Lett 48: 128263 (2021) Article DOI: 10.1016/j.bmcl.2021.128263 BindingDB Entry DOI: 10.7270/Q27084H6
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM283196 (Rac-N-[1-(N′-cyano-N-{2-[(1-methylpiperidin-...) Show SMILES CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(ccc1OC1CCN(C)CC1)C(F)(F)F)=N/C#N)C(=O)CO |w:3.2,c:6| Show InChI InChI=1S/C28H30Cl2F3N7O3/c1-3-39(25(42)15-41)23-14-40(37-26(23)17-4-6-20(29)21(30)12-17)27(35-16-34)36-22-13-18(28(31,32)33)5-7-24(22)43-19-8-10-38(2)11-9-19/h4-7,12-13,19,23,41H,3,8-11,14-15H2,1-2H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.09	n/a	n/a	n/a	n/a	9.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description SMYD2 inhibitory activities of the compounds described in the present invention were quantified using a scintillation proximity assay (SPA) which mea...				US Patent US10023539 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RKD
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM283172 (Rac-N-[1-{N′-cyano-N-[2-methoxy-5-(trifluoro...) Show SMILES CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(ccc1OC)C(F)(F)F)=N/C#N)C(=O)CO |w:3.2,c:6| Show InChI InChI=1S/C23H21Cl2F3N6O3/c1-3-33(20(36)11-35)18-10-34(32-21(18)13-4-6-15(24)16(25)8-13)22(30-12-29)31-17-9-14(23(26,27)28)5-7-19(17)37-2/h4-9,18,35H,3,10-11H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.98	n/a	n/a	n/a	n/a	9.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description SMYD2 inhibitory activities of the compounds described in the present invention were quantified using a scintillation proximity assay (SPA) which mea...				US Patent US10023539 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RKD
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM50095353 (CHEMBL3589031) Show SMILES CNCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(Cl)c1 Show InChI InChI=1S/C17H25ClN4O/c1-12(2)23-16-6-5-13(9-15(16)18)17-14(10-20-21-17)11-22(4)8-7-19-3/h5-6,9-10,12,19H,7-8,11H2,1-4H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged full-length human PRMT8 expressed in Escherichia coli (BL21(DE3) pre-incubated for 30 mins before addition of a [...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM50095432 (CHEMBL3589026) Show SMILES CC(C)Oc1ccc(cc1)-c1[nH]ncc1CN(C)CCN Show InChI InChI=1S/C16H24N4O/c1-12(2)21-15-6-4-13(5-7-15)16-14(10-18-19-16)11-20(3)9-8-17/h4-7,10,12H,8-9,11,17H2,1-3H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged full-length human PRMT8 expressed in Escherichia coli (BL21(DE3) pre-incubated for 30 mins before addition of a [...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM50095356 (CHEMBL3589028) Show SMILES CC(C)Cc1ccc(cc1)-c1[nH]ncc1CN(C)CCN Show InChI InChI=1S/C17H26N4/c1-13(2)10-14-4-6-15(7-5-14)17-16(11-19-20-17)12-21(3)9-8-18/h4-7,11,13H,8-10,12,18H2,1-3H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged full-length human PRMT8 expressed in Escherichia coli (BL21(DE3) pre-incubated for 30 mins before addition of a [...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM378744 (N-(1-((1-(4-chlorobenzyl)-1H-pyrazol-4-yl)methyl)a...) Show SMILES Clc1ccc(Cn2cc(CN3CC(C3)NC(=O)c3nc(c[nH]3)C3CC3)cn2)cc1 Show InChI InChI=1S/C21H23ClN6O/c22-17-5-1-14(2-6-17)10-28-11-15(7-24-28)9-27-12-18(13-27)25-21(29)20-23-8-19(26-20)16-3-4-16/h1-2,5-8,11,16,18H,3-4,9-10,12-13H2,(H,23,26)(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
ENSCMu					Assay Description The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...				Bioorg Med Chem 14: 7241-57 (2006) BindingDB Entry DOI: 10.7270/Q2DJ5HX2
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM50550528 (CHEMBL4756148) Show SMILES Clc1ccc(CCN2CC(C2)Oc2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)cc1Cl Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SMYD2 (unknown origin)				Citation and Details BindingDB Entry DOI: 10.7270/Q2BG2SKF
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM283169 (Rac-N-[1-{N′-cyano-N-[5-(difluoromethoxy)-2-...) Show SMILES CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(OC(F)F)ccc1OC)=N/C#N)C(=O)CO |w:3.2,c:6| Show InChI InChI=1S/C23H22Cl2F2N6O4/c1-3-32(20(35)11-34)18-10-33(31-21(18)13-4-6-15(24)16(25)8-13)23(29-12-28)30-17-9-14(37-22(26)27)5-7-19(17)36-2/h4-9,18,22,34H,3,10-11H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	n/a	n/a	n/a	n/a	9.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description SMYD2 inhibitory activities of the compounds described in the present invention were quantified using a scintillation proximity assay (SPA) which mea...				US Patent US10023539 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RKD
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM378783 (N-(1-((1-benzyl-1H-pyrazol-4-yl)methyl)azetidin-3-...) Show SMILES O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cc(ccn1)C1CC1 Show InChI InChI=1S/C23H25N5O/c29-23(22-10-20(8-9-24-22)19-6-7-19)26-21-15-27(16-21)12-18-11-25-28(14-18)13-17-4-2-1-3-5-17/h1-5,8-11,14,19,21H,6-7,12-13,15-16H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
ENSCMu					Assay Description The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on...				Bioorg Med Chem 14: 7241-57 (2006) BindingDB Entry DOI: 10.7270/Q2DJ5HX2
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM283143 ((2R)—N-[1-{N′-cyano-N-[3-(difluorometho...) Show SMILES CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)[C@@H](C)O |r,w:3.2,c:6| Show InChI InChI=1S/C23H22Cl2F2N6O3/c1-3-32(21(35)13(2)34)19-11-33(31-20(19)14-7-8-17(24)18(25)9-14)23(29-12-28)30-15-5-4-6-16(10-15)36-22(26)27/h4-10,13,19,22,34H,3,11H2,1-2H3,(H,29,30)/t13-,19?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	9.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description SMYD2 inhibitory activities of the compounds described in the present invention were quantified using a scintillation proximity assay (SPA) which mea...				US Patent US10023539 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RKD
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM283139 (N-[1-{N′-cyano-N-[3-(difluoromethoxy)phenyl]...) Show SMILES CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)[C@@H](C)N |r,c:6| Show InChI InChI=1S/C23H23Cl2F2N7O2/c1-3-33(21(35)13(2)29)19-11-34(32-20(19)14-7-8-17(24)18(25)9-14)23(30-12-28)31-15-5-4-6-16(10-15)36-22(26)27/h4-10,13,19,22H,3,11,29H2,1-2H3,(H,30,31)/t13-,19?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description For the detection of SMYD2 cellular methylation activity an In Cell Western (ICW) assay was established. This assay allows rapid processing of multip...				US Patent US10023539 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RKD
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM283139 (N-[1-{N′-cyano-N-[3-(difluoromethoxy)phenyl]...) Show SMILES CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)[C@@H](C)N |r,c:6| Show InChI InChI=1S/C23H23Cl2F2N7O2/c1-3-33(21(35)13(2)29)19-11-34(32-20(19)14-7-8-17(24)18(25)9-14)23(30-12-28)31-15-5-4-6-16(10-15)36-22(26)27/h4-10,13,19,22H,3,11,29H2,1-2H3,(H,30,31)/t13-,19?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.5	n/a	n/a	n/a	n/a	9.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description SMYD2 inhibitory activities of the compounds described in the present invention were quantified using a scintillation proximity assay (SPA) which mea...				US Patent US10023539 (2018) BindingDB Entry DOI: 10.7270/Q2MG7RKD
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM429298 (jm5b01461, Compound 118) Show SMILES Fc1ccc2cc([nH]c2c1)C(=O)C(=O)On1nnc2ccccc12 Show InChI InChI=1S/C16H9FN4O3/c17-10-6-5-9-7-13(18-12(9)8-10)15(22)16(23)24-21-14-4-2-1-3-11(14)19-20-21/h1-8,18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
University of Bonn					Assay Description This is a review article.				J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1
					More data for this Ligand-Target Pair

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