Compile Data Set for Download or QSAR

Found 2027 hits with Last Name = 'brown' and Initial = 'pj'   

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 6 (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 B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.800	n/a	4	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				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	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 6 (Homo sapiens (Human))	BDBM178102 (N1-Methyl-N1-((4-(3-(trifluoromethyl)phenyl)-1H-py...) Show SMILES CN(CCN)Cc1c[nH]cc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	9	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
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50442103 (CHEMBL2441082) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1 Show InChI InChI=1S/C29H44F2N6O2/c1-21(2)36-14-7-22(8-15-36)32-27-23-19-25(38-3)26(39-18-6-13-35-11-4-5-12-35)20-24(23)33-28(34-27)37-16-9-29(30,31)10-17-37/h19-22H,4-18H2,1-3H3,(H,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Non-competitive inhibition of lysine methyltransferase G9a (unknown origin) using SAM as substrate by Michaelis-Menten kinetic assay				J Med Chem 56: 8931-42 (2013) Article DOI: 10.1021/jm401480r BindingDB Entry DOI: 10.7270/Q2NZ892T
					More data for this Ligand-Target Pair
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM50180955 (CHEMBL3818617) Show SMILES CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |r,c:6| Show InChI InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER Pharma AG Curated by ChEMBL					Assay Description Competitive inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using varying levels of Btn-Ahx-GSRAHSSHLKSKK...				J Med Chem 59: 4578-600 (2016) Article DOI: 10.1021/acs.jmedchem.5b01890 BindingDB Entry DOI: 10.7270/Q2RN39S5
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (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 B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	11	n/a	30	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 6 (Homo sapiens (Human))	BDBM50511923 (CHEMBL4463793) Show SMILES CN(CCN)Cc1c[nH]cc1-c1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C17H22N4O/c1-3-17(22)20-15-6-4-5-13(9-15)16-11-19-10-14(16)12-21(2)8-7-18/h3-6,9-11,19H,1,7-8,12,18H2,2H3,(H,20,22)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	16	n/a	n/a	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 PRMT6 pre-incubated for 1 to 30 mins using [3H]SAM as donor and [3H]methylated biotin-labeled peptide as substrate by scintillati...				J Med Chem 63: 5477-5487 (2020) Article DOI: 10.1021/acs.jmedchem.0c00406 BindingDB Entry DOI: 10.7270/Q2BG2S9V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM178102 (N1-Methyl-N1-((4-(3-(trifluoromethyl)phenyl)-1H-py...) Show SMILES CN(CCN)Cc1c[nH]cc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	42	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
Histone-arginine methyltransferase CARM1 (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 B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	23	n/a	83	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
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM50180955 (CHEMBL3818617) Show SMILES CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |r,c:6| Show InChI InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER Pharma AG Curated by ChEMBL					Assay Description Uncompetitive inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using fixed levels of Btn-Ahx-GSRAHSSHLKSKK...				J Med Chem 59: 4578-600 (2016) Article DOI: 10.1021/acs.jmedchem.5b01890 BindingDB Entry DOI: 10.7270/Q2RN39S5
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50431676 (CHEMBL2349526) Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant DOT1L (1 to 420 amino acid residues) overexpressed in Escherichia coli BL21 (DE3) using [3H]-SAM as subst...				Bioorg Med Chem 21: 1787-94 (2013) Article DOI: 10.1016/j.bmc.2013.01.049 BindingDB Entry DOI: 10.7270/Q24F1S41
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-lysine methyltransferase KMT5A (Homo sapiens (Human))	BDBM50201571 (CHEMBL3934996) Show SMILES CCCCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C49H90N20O10/c1-7-8-14-32(42(74)69-38(28(4)5)45(77)68-36(23-27(2)3)43(75)66-35(46(78)79)18-13-22-60-49(55)56)63-40(72)33(16-11-20-58-47(51)52)65-44(76)37(24-30-25-57-26-61-30)67-41(73)34(17-12-21-59-48(53)54)64-39(71)31(62-29(6)70)15-9-10-19-50/h25-28,31-38H,7-24,50H2,1-6H3,(H,57,61)(H,62,70)(H,63,72)(H,64,71)(H,65,76)(H,66,75)(H,67,73)(H,68,77)(H,69,74)(H,78,79)(H4,51,52,58)(H4,53,54,59)(H4,55,56,60)/t31-,32?,33-,34-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Competitive inhibition of human SETD8 (186 to 352 residues) using biotin-labeled H4K20 (1 to 24 residues) as substrate after 1 hr in presence of 3H-S...				ACS Med Chem Lett 7: 1102-1106 (2016) Article DOI: 10.1021/acsmedchemlett.6b00303 BindingDB Entry DOI: 10.7270/Q2319XVP
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 3 [N508S] (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 B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	55	n/a	119	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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50194756 (CHEMBL3961701) Show SMILES CNCCN1CCC(CC1)OCc1ccccc1 Show InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Displacement of [3H]pentazocine from guinea pig sigma1 receptor				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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50194756 (CHEMBL3961701) Show SMILES CNCCN1CCC(CC1)OCc1ccccc1 Show InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Displacement of [3H]alpha-methylhistamine from human histamine H3 receptor expressed HEK Flp-In cell membranes				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
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM178101 (N1-Methyl-N1-((5-(3-(trifluoromethyl)phenyl)-2H-1,...) Show SMILES CN(CCN)Cc1n[nH]nc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H16F3N5/c1-21(6-5-17)8-11-12(19-20-18-11)9-3-2-4-10(7-9)13(14,15)16/h2-4,7H,5-6,8,17H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	n/a	230	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 [11-371] (Homo sapiens (Human))	BDBM178102 (N1-Methyl-N1-((4-(3-(trifluoromethyl)phenyl)-1H-py...) Show SMILES CN(CCN)Cc1c[nH]cc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	250	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
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM178102 (N1-Methyl-N1-((4-(3-(trifluoromethyl)phenyl)-1H-py...) Show SMILES CN(CCN)Cc1c[nH]cc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	260	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
Carboxypeptidase G2 (Pseudomonas aeruginosa)	BDBM50074672 ((R)-2-(4-Methoxy-phenylsulfanylcarbonylamino)-pent...) Show SMILES COc1ccc(SC(=O)N[C@H](CCC(O)=O)C(O)=O)cc1 Show InChI InChI=1S/C13H15NO6S/c1-20-8-2-4-9(5-3-8)21-13(19)14-10(12(17)18)6-7-11(15)16/h2-5,10H,6-7H2,1H3,(H,14,19)(H,15,16)(H,17,18)/t10-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College of Science Curated by ChEMBL					Assay Description Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay				J Med Chem 42: 951-6 (1999) Article DOI: 10.1021/jm990004i BindingDB Entry DOI: 10.7270/Q2J965KN
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50396981 (CHEMBL2171174) Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H22N6O5S/c1-17-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(26-14)4-27-3-2-7(16)15(24)25/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H,17,18,19)/t7-,8+,10+,11+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant DOT1L (1 to 472 amino acid residues) expressed in Escherichia coli BL21 (DE3) using [3H]-SAM assessed as ...				Bioorg Med Chem 21: 1787-94 (2013) Article DOI: 10.1016/j.bmc.2013.01.049 BindingDB Entry DOI: 10.7270/Q24F1S41
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein arginine N-methyltransferase 3 [N508S] (Homo sapiens (Human))	BDBM178102 (N1-Methyl-N1-((4-(3-(trifluoromethyl)phenyl)-1H-py...) Show SMILES CN(CCN)Cc1c[nH]cc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C15H18F3N3/c1-21(6-5-19)10-12-8-20-9-14(12)11-3-2-4-13(7-11)15(16,17)18/h2-4,7-9,20H,5-6,10,19H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	550	n/a	1.10E+3	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
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50431676 (CHEMBL2349526) Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human NNMT measured for 30 mins by SAHH-coupled fluorescence assay				Bioorg Med Chem 21: 1787-94 (2013) Article DOI: 10.1016/j.bmc.2013.01.049 BindingDB Entry DOI: 10.7270/Q24F1S41
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50431676 (CHEMBL2349526) Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of DNMT1 (unknown origin) using [3H]-SAM assessed as inhibition of dsDNA methylation after 1 hr by scintillation proximity assay				Bioorg Med Chem 21: 1787-94 (2013) Article DOI: 10.1016/j.bmc.2013.01.049 BindingDB Entry DOI: 10.7270/Q24F1S41
					More data for this Ligand-Target Pair
Carboxypeptidase G2 (Pseudomonas aeruginosa)	BDBM50074680 (2-p-Tolylsulfanylcarbonylamino-pentanedioic acid |...) Show SMILES Cc1ccc(SC(=O)NC(CCC(O)=O)C(O)=O)cc1 Show InChI InChI=1S/C13H15NO5S/c1-8-2-4-9(5-3-8)20-13(19)14-10(12(17)18)6-7-11(15)16/h2-5,10H,6-7H2,1H3,(H,14,19)(H,15,16)(H,17,18)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College of Science Curated by ChEMBL					Assay Description Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay				J Med Chem 42: 951-6 (1999) Article DOI: 10.1021/jm990004i BindingDB Entry DOI: 10.7270/Q2J965KN
					More data for this Ligand-Target Pair
Carboxypeptidase G2 (Pseudomonas aeruginosa)	BDBM50074674 (2-(3-Methoxy-phenylsulfanylcarbonylamino)-pentaned...) Show SMILES COc1cccc(SC(=O)NC(CCC(O)=O)C(O)=O)c1 Show InChI InChI=1S/C13H15NO6S/c1-20-8-3-2-4-9(7-8)21-13(19)14-10(12(17)18)5-6-11(15)16/h2-4,7,10H,5-6H2,1H3,(H,14,19)(H,15,16)(H,17,18)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College of Science Curated by ChEMBL					Assay Description Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay				J Med Chem 42: 951-6 (1999) Article DOI: 10.1021/jm990004i BindingDB Entry DOI: 10.7270/Q2J965KN
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50431676 (CHEMBL2349526) Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of PRMT5 (unknown origin) using [3H]SAM after 1 hr by scintillation proximity assay				Bioorg Med Chem 21: 1787-94 (2013) Article DOI: 10.1016/j.bmc.2013.01.049 BindingDB Entry DOI: 10.7270/Q24F1S41
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 3 [N508S] (Homo sapiens (Human))	BDBM50431676 (CHEMBL2349526) Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of PRMT3 (unknown origin) using [3H]SAM assessed as inhibition of biotinylated-H4 (1 to 24 amino acid residues) methylation after 1 hr by ...				Bioorg Med Chem 21: 1787-94 (2013) Article DOI: 10.1016/j.bmc.2013.01.049 BindingDB Entry DOI: 10.7270/Q24F1S41
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM178101 (N1-Methyl-N1-((5-(3-(trifluoromethyl)phenyl)-2H-1,...) Show SMILES CN(CCN)Cc1n[nH]nc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H16F3N5/c1-21(6-5-17)8-11-12(19-20-18-11)9-3-2-4-10(7-9)13(14,15)16/h2-4,7H,5-6,8,17H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	3.00E+3	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
N-lysine methyltransferase KMT5A (Homo sapiens (Human))	BDBM50051116 (CHEMBL3318284) Show SMILES [H][C@]12[C@@H](C)[C@H](O)C[C@@H](O)[C@@]1(C)C=C(C)[C@H]([C@@H]2\C=C(/C)C(O)=O)C(C)=CC[C@H](O)C[C@@H](O)[C@H](C)[C@@H](O)C(C)C |r,t:12| Show InChI InChI=1S/C30H50O7/c1-15(2)28(35)20(7)23(32)12-21(31)10-9-16(3)26-18(5)14-30(8)25(34)13-24(33)19(6)27(30)22(26)11-17(4)29(36)37/h9,11,14-15,19-28,31-35H,10,12-13H2,1-8H3,(H,36,37)/b16-9+,17-11+/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Competitive inhibition of SETD8 (unknown origin) using biotin-labeled H4 (1 to 24 residues) as substrate after 1 hr in presence of varying levels of ...				ACS Med Chem Lett 7: 1102-1106 (2016) Article DOI: 10.1021/acsmedchemlett.6b00303 BindingDB Entry DOI: 10.7270/Q2319XVP
					More data for this Ligand-Target Pair
Carboxypeptidase G2 (Pseudomonas aeruginosa)	BDBM50074673 (2-(3-Amino-phenylsulfanylcarbonylamino)-pentanedio...) Show SMILES Nc1cccc(SC(=O)NC(CCC(O)=O)C(O)=O)c1 Show InChI InChI=1S/C12H14N2O5S/c13-7-2-1-3-8(6-7)20-12(19)14-9(11(17)18)4-5-10(15)16/h1-3,6,9H,4-5,13H2,(H,14,19)(H,15,16)(H,17,18)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College of Science Curated by ChEMBL					Assay Description Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay				J Med Chem 42: 951-6 (1999) Article DOI: 10.1021/jm990004i BindingDB Entry DOI: 10.7270/Q2J965KN
					More data for this Ligand-Target Pair
Carboxypeptidase G2 (Pseudomonas aeruginosa)	BDBM50074679 (2-(4-Amino-phenylsulfanylcarbonylamino)-pentanedio...) Show SMILES Nc1ccc(SC(=O)NC(CCC(O)=O)C(O)=O)cc1 Show InChI InChI=1S/C12H14N2O5S/c13-7-1-3-8(4-2-7)20-12(19)14-9(11(17)18)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,19)(H,15,16)(H,17,18)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College of Science Curated by ChEMBL					Assay Description Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay				J Med Chem 42: 951-6 (1999) Article DOI: 10.1021/jm990004i BindingDB Entry DOI: 10.7270/Q2J965KN
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM178101 (N1-Methyl-N1-((5-(3-(trifluoromethyl)phenyl)-2H-1,...) Show SMILES CN(CCN)Cc1n[nH]nc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H16F3N5/c1-21(6-5-17)8-11-12(19-20-18-11)9-3-2-4-10(7-9)13(14,15)16/h2-4,7H,5-6,8,17H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	>2.00E+4	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
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM178101 (N1-Methyl-N1-((5-(3-(trifluoromethyl)phenyl)-2H-1,...) Show SMILES CN(CCN)Cc1n[nH]nc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H16F3N5/c1-21(6-5-17)8-11-12(19-20-18-11)9-3-2-4-10(7-9)13(14,15)16/h2-4,7H,5-6,8,17H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.75E+4	n/a	>7.50E+4	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 3 [N508S] (Homo sapiens (Human))	BDBM178101 (N1-Methyl-N1-((5-(3-(trifluoromethyl)phenyl)-2H-1,...) Show SMILES CN(CCN)Cc1n[nH]nc1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H16F3N5/c1-21(6-5-17)8-11-12(19-20-18-11)9-3-2-4-10(7-9)13(14,15)16/h2-4,7H,5-6,8,17H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	>1.00E+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
Carboxypeptidase G2 (Pseudomonas aeruginosa)	BDBM50074678 (2-(1-Oxy-pyridin-4-ylsulfanylcarbonylamino)-pentan...) Show SMILES OC(=O)CCC(NC(=O)Sc1cc[n+]([O-])cc1)C(O)=O Show InChI InChI=1S/C11H12N2O6S/c14-9(15)2-1-8(10(16)17)12-11(18)20-7-3-5-13(19)6-4-7/h3-6,8H,1-2H2,(H,12,18)(H,14,15)(H,16,17)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.65E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College of Science Curated by ChEMBL					Assay Description Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay				J Med Chem 42: 951-6 (1999) Article DOI: 10.1021/jm990004i BindingDB Entry DOI: 10.7270/Q2J965KN
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50396023 (CHEMBL2169919) Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r| Show InChI InChI=1S/C28H41N7O4/c1-17(2)34(13-6-12-30-27(38)33-19-9-7-18(8-10-19)28(3,4)5)15-21-22(36)23(37)26(39-21)35-14-11-20-24(29)31-16-32-25(20)35/h7-11,14,16-17,21-23,26,36-37H,6,12-13,15H2,1-5H3,(H2,29,31,32)(H2,30,33,38)/t21-,22-,23-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant DOT1L (1 to 416 amino acid residues) using [3H]-SAM assessed as inhibition of nucleosome methylation incu...				Bioorg Med Chem 21: 1787-94 (2013) Article DOI: 10.1016/j.bmc.2013.01.049 BindingDB Entry DOI: 10.7270/Q24F1S41
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446378 (CHEMBL3109639) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C2(C)C |t:19| Show InChI InChI=1S/C18H27N3O2/c1-18(2)13-11-15(22-3)16(12-14(13)20-17(18)19)23-10-6-9-21-7-4-5-8-21/h11-12H,4-10H2,1-3H3,(H2,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50164787 (CHEMBL3798088) Show SMILES CC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@](C)(CCCCNC(=O)[C@H](NC1=O)c1ccccc1)NC(=O)C(C)C |r| Show InChI InChI=1S/C29H46N8O5/c1-5-20-24(39)36-22(19-12-7-6-8-13-19)26(41)32-16-10-9-15-29(4,37-23(38)18(2)3)27(42)35-21(25(40)34-20)14-11-17-33-28(30)31/h6-8,12-13,18,20-22H,5,9-11,14-17H2,1-4H3,(H,32,41)(H,34,40)(H,35,42)(H,36,39)(H,37,38)(H4,30,31,33)/t20-,21-,22+,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of SUMO-His-tagged WDR5 (unknown origin) interaction with MLL1 assessed as displacement of fluorescence labelled Ac-ARA peptide substrate ...				J Med Chem 59: 2478-96 (2016) Article DOI: 10.1021/acs.jmedchem.5b01630 BindingDB Entry DOI: 10.7270/Q2VT1V0C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446386 (CHEMBL3109631) Show SMILES COc1cc2c(cc1OCC1CCN(C)C1)N=C(N)C21CCC1 |t:18| Show InChI InChI=1S/C18H25N3O2/c1-21-7-4-12(10-21)11-23-16-9-14-13(8-15(16)22-2)18(5-3-6-18)17(19)20-14/h8-9,12H,3-7,10-11H2,1-2H3,(H2,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50353121 (CHEMBL1829295) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCN(CC1)C(C)C Show InChI InChI=1S/C32H53N7O2/c1-24(2)37-15-8-16-39(20-19-37)32-34-28-23-30(41-21-9-14-36-12-6-7-13-36)29(40-5)22-27(28)31(35-32)33-26-10-17-38(18-11-26)25(3)4/h22-26H,6-21H2,1-5H3,(H,33,34,35)	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
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay				J Med Chem 54: 6139-50 (2011) Article DOI: 10.1021/jm200903z BindingDB Entry DOI: 10.7270/Q237793P
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 21 (Homo sapiens (Human))	CHEMBL5279102 Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50040583 ((R)-4-(1,3-Dioxo-5-propoxy-1,3-dihydro-isoindol-2-...) Show SMILES CCCOc1ccc2C(=O)N(CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NC)C(O)=O)C(=O)c2c1 Show InChI InChI=1S/C31H40N4O7/c1-5-15-42-21-11-12-22-23(18-21)30(39)35(29(22)38)14-13-24(31(40)41)33-25(16-19(2)3)28(37)34-26(27(36)32-4)17-20-9-7-6-8-10-20/h6-12,18-19,24-26,33H,5,13-17H2,1-4H3,(H,32,36)(H,34,37)(H,40,41)/t24-,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Incorporated Research Institute Curated by ChEMBL					Assay Description Activity against human gelatinase (MMP-9).				J Med Chem 37: 674-88 (1994) BindingDB Entry DOI: 10.7270/Q2RV0MRC
					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)
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM200712 (US9233086, 10A) Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C35H51N7O4/c1-5-34(6-2,41-29(43)24(3)4)31(45)39-27(20-15-23-38-33(36)37)30(44)42-35(21-13-14-22-35)32(46)40-28(25-16-9-7-10-17-25)26-18-11-8-12-19-26/h7-12,16-19,24,27-28H,5-6,13-15,20-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,43)(H,42,44)(H4,36,37,38)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Ontario Institute for Cancer Research Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged WDR5 (24 to 334 residues) (unknown origin) interaction with MLL1 assessed as displacement of 5-Lys-FAM peptide su...				J Med Chem 59: 2478-96 (2016) Article DOI: 10.1021/acs.jmedchem.5b01630 BindingDB Entry DOI: 10.7270/Q2VT1V0C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446376 (CHEMBL3109630) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin)-mediated incorporation of methyl group from [3H]-SAM into peptide substrate by scintillation proximity assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50442106 (CHEMBL2441078) Show SMILES COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1 Show InChI InChI=1S/C29H42F2N6O2/c1-38-25-19-23-24(20-26(25)39-18-4-13-35-11-2-3-12-35)33-28(37-16-9-29(30,31)10-17-37)34-27(23)32-21-7-14-36(15-8-21)22-5-6-22/h19-22H,2-18H2,1H3,(H,32,33,34)	PDB UniProtKB/SwissProt 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
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of lysine methyltransferase G9a (unknown origin) using [3H]-SAM as substrate after 0.25 hrs by scintillation proximity assay				J Med Chem 56: 8931-42 (2013) Article DOI: 10.1021/jm401480r BindingDB Entry DOI: 10.7270/Q2NZ892T
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446376 (CHEMBL3109630) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446380 (CHEMBL3109637) Show SMILES COc1cc2c(cc1OCCCN1CC[C@@H](F)C1)N=C(N)C21CCC1 |r,t:20| Show InChI InChI=1S/C19H26FN3O2/c1-24-16-10-14-15(22-18(21)19(14)5-2-6-19)11-17(16)25-9-3-7-23-8-4-13(20)12-23/h10-11,13H,2-9,12H2,1H3,(H2,21,22)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50040607 ((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...) Show SMILES CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C32H36N4O7/c1-18(2)14-26(29(39)35-27(28(38)33-3)15-19-8-10-22(37)11-9-19)34-25(32(42)43)12-13-36-30(40)23-16-20-6-4-5-7-21(20)17-24(23)31(36)41/h4-11,16-18,25-27,34,37H,12-15H2,1-3H3,(H,33,38)(H,35,39)(H,42,43)/t25-,26+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Incorporated Research Institute Curated by ChEMBL					Assay Description Activity against human gelatinase (MMP-9).				J Med Chem 37: 674-88 (1994) BindingDB Entry DOI: 10.7270/Q2RV0MRC
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (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 B.MOAD antibodypedia 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 PRMT4 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

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