Compile Data Set for Download or QSAR

Found 216 hits with Last Name = 'riera' and Initial = 't'   

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))	BDBM378462 (6-chloro-2-oxo-N-((1R,3r,5S)-8-(((1-(4,4,4-trifluo...) Show SMILES FC(F)(F)CCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc3CC(=O)Nc3cc2Cl)CC1 |r,TLB:12:15:18.17:22.21.20| Show InChI InChI=1S/C26H34ClF3N4O4S/c27-22-14-23-17(11-24(35)32-23)10-21(22)25(36)31-18-12-19-2-3-20(13-18)34(19)39(37,38)15-16-4-8-33(9-5-16)7-1-6-26(28,29)30/h10,14,16,18-20H,1-9,11-13,15H2,(H,31,36)(H,32,35)/t18-,19+,20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using varyin...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378462 (6-chloro-2-oxo-N-((1R,3r,5S)-8-(((1-(4,4,4-trifluo...) Show SMILES FC(F)(F)CCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc3CC(=O)Nc3cc2Cl)CC1 |r,TLB:12:15:18.17:22.21.20| Show InChI InChI=1S/C26H34ClF3N4O4S/c27-22-14-23-17(11-24(35)32-23)10-21(22)25(36)31-18-12-19-2-3-20(13-18)34(19)39(37,38)15-16-4-8-33(9-5-16)7-1-6-26(28,29)30/h10,14,16,18-20H,1-9,11-13,15H2,(H,31,36)(H,32,35)/t18-,19+,20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using fixed ...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378459 (N-((1R,3r,5S)-8-((4-(benzylamino)piperidin-1-yl)su...) Show SMILES Clc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCc1ccccc1 |r,TLB:22:21:15.14.20:18.17| Show InChI InChI=1S/C28H34ClN5O4S/c29-25-16-26-19(13-27(35)32-26)12-24(25)28(36)31-21-14-22-6-7-23(15-21)34(22)39(37,38)33-10-8-20(9-11-33)30-17-18-4-2-1-3-5-18/h1-5,12,16,20-23,30H,6-11,13-15,17H2,(H,31,36)(H,32,35)/t21-,22+,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using varyin...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378459 (N-((1R,3r,5S)-8-((4-(benzylamino)piperidin-1-yl)su...) Show SMILES Clc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCc1ccccc1 |r,TLB:22:21:15.14.20:18.17| Show InChI InChI=1S/C28H34ClN5O4S/c29-25-16-26-19(13-27(35)32-26)12-24(25)28(36)31-21-14-22-6-7-23(15-21)34(22)39(37,38)33-10-8-20(9-11-33)30-17-18-4-2-1-3-5-18/h1-5,12,16,20-23,30H,6-11,13-15,17H2,(H,31,36)(H,32,35)/t21-,22+,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Inc. Curated by ChEMBL					Assay Description Mixed type inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using fixed N-ter...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378444 (N-((1R,3r,5S)-8-(((1-methylpiperidin-4-yl)methyl)s...) Show SMILES CN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2ccc3NC(=O)Cc3c2)CC1 |r,TLB:6:9:12.11:16.15.14| Show InChI InChI=1S/C23H32N4O4S/c1-26-8-6-15(7-9-26)14-32(30,31)27-19-3-4-20(27)13-18(12-19)24-23(29)16-2-5-21-17(10-16)11-22(28)25-21/h2,5,10,15,18-20H,3-4,6-9,11-14H2,1H3,(H,24,29)(H,25,28)/t18-,19+,20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Inc. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged ...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378446 (N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-...) Show SMILES NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1Cl |r,TLB:7:10:13.12:17.16.15| Show InChI InChI=1S/C21H28ClN5O4S/c22-18-11-19-12(8-20(28)25-19)7-17(18)21(29)24-14-9-15-1-2-16(10-14)27(15)32(30,31)26-5-3-13(23)4-6-26/h7,11,13-16H,1-6,8-10,23H2,(H,24,29)(H,25,28)/t14-,15+,16-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Inc. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged ...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378445 (N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-...) Show SMILES NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)Cc2c1 |r,TLB:7:10:13.12:17.16.15| Show InChI InChI=1S/C21H29N5O4S/c22-15-5-7-25(8-6-15)31(29,30)26-17-2-3-18(26)12-16(11-17)23-21(28)13-1-4-19-14(9-13)10-20(27)24-19/h1,4,9,15-18H,2-3,5-8,10-12,22H2,(H,23,28)(H,24,27)/t16-,17+,18-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Inc. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged ...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM50095436 (CHEMBL3589043) Show SMILES CNCCN(C)Cc1n[nH]cc1-c1ccc(Oc2cccc(c2)C(=O)N(C)C)cc1 Show InChI InChI=1S/C23H29N5O2/c1-24-12-13-28(4)16-22-21(15-25-26-22)17-8-10-19(11-9-17)30-20-7-5-6-18(14-20)23(29)27(2)3/h5-11,14-15,24H,12-13,16H2,1-4H3,(H,25,26)	PDB UniProtKB/SwissProt B.MOAD antibodypedia 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 FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...				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 6 (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 B.MOAD antibodypedia 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 FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...				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
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378453 (6-chloro-N-((1R,3r,5S)-8-((4-(methylamino)piperidi...) Show SMILES CNC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1Cl |r,TLB:8:11:14.13:18.17.16| Show InChI InChI=1S/C22H30ClN5O4S/c1-24-14-4-6-27(7-5-14)33(31,32)28-16-2-3-17(28)11-15(10-16)25-22(30)18-8-13-9-21(29)26-20(13)12-19(18)23/h8,12,14-17,24H,2-7,9-11H2,1H3,(H,25,30)(H,26,29)/t15-,16+,17-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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 full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged ...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					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
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378452 (6-chloro-N-((1R,3r,5S)-8-(((1-(3-hydroxypropyl)pip...) Show SMILES OCCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc3CC(=O)Nc3cc2Cl)CC1 |r,TLB:9:12:15.14:19.18.17| Show InChI InChI=1S/C25H35ClN4O5S/c26-22-14-23-17(11-24(32)28-23)10-21(22)25(33)27-18-12-19-2-3-20(13-18)30(19)36(34,35)15-16-4-7-29(8-5-16)6-1-9-31/h10,14,16,18-20,31H,1-9,11-13,15H2,(H,27,33)(H,28,32)/t18-,19+,20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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 full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged ...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378462 (6-chloro-2-oxo-N-((1R,3r,5S)-8-(((1-(4,4,4-trifluo...) Show SMILES FC(F)(F)CCCN1CCC(CS(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc3CC(=O)Nc3cc2Cl)CC1 |r,TLB:12:15:18.17:22.21.20| Show InChI InChI=1S/C26H34ClF3N4O4S/c27-22-14-23-17(11-24(35)32-23)10-21(22)25(36)31-18-12-19-2-3-20(13-18)34(19)39(37,38)15-16-4-8-33(9-5-16)7-1-6-26(28,29)30/h10,14,16,18-20H,1-9,11-13,15H2,(H,31,36)(H,32,35)/t18-,19+,20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Inc. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged ...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM50095438 (CHEMBL3589042) Show SMILES CNCCN(C)Cc1c[nH]nc1-c1ccc(Oc2cccc(c2)C(=O)N(C)C)cc1 Show InChI InChI=1S/C23H29N5O2/c1-24-12-13-28(4)16-19-15-25-26-22(19)17-8-10-20(11-9-17)30-21-7-5-6-18(14-21)23(29)27(2)3/h5-11,14-15,24H,12-13,16H2,1-4H3,(H,25,26)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...				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
Histone-lysine N-methyltransferase SETD2 (Homo sapiens (Human))	BDBM50582891 (CHEMBL5078908) Show SMILES CN(C)C1CCN(CC1)c1cc(F)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 Show InChI	PDB UniProtKB/SwissProt 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					Assay Description Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00272 BindingDB Entry DOI: 10.7270/Q2Z03D29
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378461 (6-chloro-N-((1R,3r,5S)-8-((4-(dimethylamino)piperi...) Show SMILES CN(C)C1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1Cl |r,TLB:9:12:15.14:19.18.17| Show InChI InChI=1S/C23H32ClN5O4S/c1-27(2)16-5-7-28(8-6-16)34(32,33)29-17-3-4-18(29)12-15(11-17)25-23(31)19-9-14-10-22(30)26-21(14)13-20(19)24/h9,13,15-18H,3-8,10-12H2,1-2H3,(H,25,31)(H,26,30)/t15-,17+,18-	PDB UniProtKB/SwissProt 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
Epizyme Inc. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged ...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (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 B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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 PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...				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
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378464 (2-oxo-N-((1R,3r,5S)-8-((piperidin-4-ylmethyl)sulfo...) Show SMILES O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1)c1ccc2NC(=O)Cc2c1 |r,TLB:11:10:7.6:4.3.9| Show InChI InChI=1S/C22H30N4O4S/c27-21-10-16-9-15(1-4-20(16)25-21)22(28)24-17-11-18-2-3-19(12-17)26(18)31(29,30)13-14-5-7-23-8-6-14/h1,4,9,14,17-19,23H,2-3,5-8,10-13H2,(H,24,28)(H,25,27)/t17-,18+,19-	PDB UniProtKB/SwissProt 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
Epizyme Inc. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged ...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378459 (N-((1R,3r,5S)-8-((4-(benzylamino)piperidin-1-yl)su...) Show SMILES Clc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(CC1)NCc1ccccc1 |r,TLB:22:21:15.14.20:18.17| Show InChI InChI=1S/C28H34ClN5O4S/c29-25-16-26-19(13-27(35)32-26)12-24(25)28(36)31-21-14-22-6-7-23(15-21)34(22)39(37,38)33-10-8-20(9-11-33)30-17-18-4-2-1-3-5-18/h1-5,12,16,20-23,30H,6-11,13-15,17H2,(H,31,36)(H,32,35)/t21-,22+,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Inc. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged ...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378442 (N-((1R,3R,5S)-8-(((1r,4R)-4-aminocyclohexyl)sulfon...) Show SMILES N[C@H]1CC[C@@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1ccc2NC(=O)Cc2c1 |r,wU:1.0,14.15,11.11,wD:4.7,16.20,TLB:7:10:13.12:17.16.15,(-9.98,-1.26,;-8.44,-1.26,;-7.67,.07,;-6.13,.07,;-5.36,-1.26,;-6.13,-2.6,;-7.67,-2.6,;-3.82,-1.26,;-3.82,-2.8,;-3.82,.28,;-2.28,-1.26,;-1.88,-3,;-3.08,-2.04,;-3.08,-.5,;-1.88,.46,;-.38,.12,;.29,-1.27,;-.38,-2.66,;1.83,-1.27,;2.6,.06,;1.83,1.4,;4.14,.06,;4.91,-1.27,;6.45,-1.27,;7.22,.06,;8.73,.38,;8.89,1.91,;9.98,3,;7.48,2.54,;6.45,1.4,;4.91,1.4,)| Show InChI InChI=1S/C22H30N4O4S/c23-15-2-6-19(7-3-15)31(29,30)26-17-4-5-18(26)12-16(11-17)24-22(28)13-1-8-20-14(9-13)10-21(27)25-20/h1,8-9,15-19H,2-7,10-12,23H2,(H,24,28)(H,25,27)/t15-,16-,17+,18-,19-	PDB UniProtKB/SwissProt 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
Epizyme Inc. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged ...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (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 B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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 PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...				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
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50500875 (CHEMBL3798745) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3CC(=O)Nc3cc1Cl)N2S(=O)(=O)C[C@H]1CCCNC1 |r| Show InChI InChI=1S/C22H29ClN4O4S/c23-19-10-20-14(7-21(28)26-20)6-18(19)22(29)25-15-8-16-3-4-17(9-15)27(16)32(30,31)12-13-2-1-5-24-11-13/h6,10,13,15-17,24H,1-5,7-9,11-12H2,(H,25,29)(H,26,28)/t13-,15-,16+,17-/m0/s1	PDB UniProtKB/SwissProt 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
Epizyme Inc. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged ...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378463 (6-chloro-2-oxo-N-((1R,3r,5S)-8-((piperidin-4-ylmet...) Show SMILES Clc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CC1CCNCC1 |r,TLB:22:21:15.14.20:18.17| Show InChI InChI=1S/C22H29ClN4O4S/c23-19-11-20-14(8-21(28)26-20)7-18(19)22(29)25-15-9-16-1-2-17(10-15)27(16)32(30,31)12-13-3-5-24-6-4-13/h7,11,13,15-17,24H,1-6,8-10,12H2,(H,25,29)(H,26,28)/t15-,16+,17-	PDB UniProtKB/SwissProt 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
Epizyme Inc. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged ...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (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 B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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 PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...				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
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM50500876 (CHEMBL3797575) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3CC(=O)Nc3cc1Cl)N2S(=O)(=O)C[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C22H29ClN4O4S/c23-19-10-20-14(7-21(28)26-20)6-18(19)22(29)25-15-8-16-3-4-17(9-15)27(16)32(30,31)12-13-2-1-5-24-11-13/h6,10,13,15-17,24H,1-5,7-9,11-12H2,(H,25,29)(H,26,28)/t13-,15-,16+,17-/m1/s1	PDB UniProtKB/SwissProt 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
Epizyme Inc. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged ...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SETD2 (Homo sapiens (Human))	BDBM50594410 (CHEMBL5178972) Show SMILES [H][C@]12CCN(C(C)=O)[C@@]1([H])CCN2[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00167 BindingDB Entry DOI: 10.7270/Q2HQ43XC
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3 (Homo sapiens (Human))	BDBM378443 (N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-...) Show SMILES NC1CCN(CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1F |r,TLB:7:10:13.12:17.16.15| Show InChI InChI=1S/C21H28FN5O4S/c22-18-11-19-12(8-20(28)25-19)7-17(18)21(29)24-14-9-15-1-2-16(10-14)27(15)32(30,31)26-5-3-13(23)4-6-26/h7,11,13-16H,1-6,8-10,23H2,(H,24,29)(H,25,28)/t14-,15+,16-	PDB UniProtKB/SwissProt 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
Epizyme Inc. Curated by ChEMBL					Assay Description Inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged ...				ACS Med Chem Lett 7: 134-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00272 BindingDB Entry DOI: 10.7270/Q2NG4TPR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM50095435 (CHEMBL3590417) Show SMILES CNCCN(C)Cc1n[nH]cc1-c1ccc(Oc2ccccc2C(=O)NC)cc1 Show InChI InChI=1S/C22H27N5O2/c1-23-12-13-27(3)15-20-19(14-25-26-20)16-8-10-17(11-9-16)29-21-7-5-4-6-18(21)22(28)24-2/h4-11,14,23H,12-13,15H2,1-3H3,(H,24,28)(H,25,26)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...				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 1 [11-371] (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 B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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 PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...				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 1 [11-371] (Homo sapiens (Human))	BDBM50095357 (CHEMBL3589027) Show SMILES CNCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)cc1 Show InChI InChI=1S/C17H26N4O/c1-13(2)22-16-7-5-14(6-8-16)17-15(11-19-20-17)12-21(4)10-9-18-3/h5-8,11,13,18H,9-10,12H2,1-4H3,(H,19,20)	PDB UniProtKB/SwissProt B.MOAD 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 PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...				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
Histone-lysine N-methyltransferase SETD2 (Homo sapiens (Human))	BDBM50582889 (CHEMBL5073608) Show SMILES CN(C1CCN(C1)c1cc(F)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1)C(C)=O Show InChI	PDB UniProtKB/SwissProt 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 Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00272 BindingDB Entry DOI: 10.7270/Q2Z03D29
					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
Protein arginine N-methyltransferase 1 [11-371] (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 B.MOAD 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 PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...				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 6 (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 B.MOAD antibodypedia 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 FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...				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 6 (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 B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...				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
Histone-lysine N-methyltransferase SETD2 (Homo sapiens (Human))	BDBM50582885 (CHEMBL5091591) Show SMILES CN([C@H]1CCN(C1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1)S(C)(=O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE 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
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00167 BindingDB Entry DOI: 10.7270/Q2HQ43XC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase SETD2 (Homo sapiens (Human))	BDBM50582885 (CHEMBL5091591) Show SMILES CN([C@H]1CCN(C1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1)S(C)(=O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE 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
TBA					Assay Description Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00272 BindingDB Entry DOI: 10.7270/Q2Z03D29
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50095348 (CHEMBL3589036) Show SMILES CNCCN(C)Cc1cn[nH]c1-c1cc(OCCc2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C23H27F3N4O/c1-27-9-10-30(2)16-19-15-28-29-22(19)18-12-20(23(24,25)26)14-21(13-18)31-11-8-17-6-4-3-5-7-17/h3-7,12-15,27H,8-11,16H2,1-2H3,(H,28,29)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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 PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...				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
Histone-lysine N-methyltransferase SETD2 (Homo sapiens (Human))	BDBM50582892 (CHEMBL5093241) Show SMILES CN(C)C1CCN(CC1)c1cc(Cl)cc(NC(=O)c2cc3c(F)ccc(C)c3[nH]2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00272 BindingDB Entry DOI: 10.7270/Q2Z03D29
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SETD2 (Homo sapiens (Human))	BDBM50594410 (CHEMBL5178972) Show SMILES [H][C@]12CCN(C(C)=O)[C@@]1([H])CCN2[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt 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
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00167 BindingDB Entry DOI: 10.7270/Q2HQ43XC
					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))	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
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 6 (Homo sapiens (Human))	BDBM50095441 (CHEMBL3589039) Show SMILES CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@@H](C2)OCCC2CCOCC2)cc1 |r,wU:17.17,wD:19.22,(9.1,4.97,;7.93,4.58,;7.61,3.08,;6.15,2.59,;5.83,1.08,;6.75,.26,;4.37,.6,;4.06,-.91,;5.09,-2.05,;4.31,-3.38,;2.81,-3.06,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4.35,-.7,;-5.84,-.3,;-5.45,1.19,;-7.17,-1.07,;-8.5,-.31,;-9.84,-1.08,;-11.17,-.31,;-12.51,-1.08,;-13.84,-.31,;-13.84,1.23,;-12.51,2,;-11.17,1.23,;-1.33,-.77,;,-1.54,)| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB 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 FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...				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				3D Structure (crystal)
Protein arginine N-methyltransferase 6 (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 B.MOAD antibodypedia 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 FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...				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 6 (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 B.MOAD antibodypedia 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 FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...				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 6 (Homo sapiens (Human))	BDBM50095434 (CHEMBL3589912) Show SMILES CN(CCN)Cc1cn[nH]c1-c1ccc(F)cc1 Show InChI InChI=1S/C13H17FN4/c1-18(7-6-15)9-11-8-16-17-13(11)10-2-4-12(14)5-3-10/h2-5,8H,6-7,9,15H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...				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				3D Structure (crystal)
Histone-lysine N-methyltransferase SETD2 (Homo sapiens (Human))	BDBM50594409 (CHEMBL5206271) Show SMILES [H][C@@]12CCN(C(C)=O)[C@]1([H])CN(C2)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00167 BindingDB Entry DOI: 10.7270/Q2HQ43XC
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM50095357 (CHEMBL3589027) Show SMILES CNCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)cc1 Show InChI InChI=1S/C17H26N4O/c1-13(2)22-16-7-5-14(6-8-16)17-15(11-19-20-17)12-21(4)10-9-18-3/h5-8,11,13,18H,9-10,12H2,1-4H3,(H,19,20)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...				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
Histone-lysine N-methyltransferase SETD2 (Homo sapiens (Human))	BDBM50594408 (CHEMBL5195440) Show SMILES [H][C@@]12CCC(=O)N1CCN(C2)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00167 BindingDB Entry DOI: 10.7270/Q2HQ43XC
					More data for this Ligand-Target Pair

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