Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'hamashima' and Initial = 'y'   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483937 (CHEMBL1783813) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCCCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCCCCCC(O)=O |r,t:15| Show InChI InChI=1S/C42H67NO7/c1-37(2)22-24-42(36(49)43-26-12-8-9-13-33(44)45)25-23-40(6)28(29(42)27-37)16-17-31-39(5)20-19-32(50-35(48)15-11-10-14-34(46)47)38(3,4)30(39)18-21-41(31,40)7/h16,29-32H,8-15,17-27H2,1-7H3,(H,43,49)(H,44,45)(H,46,47)/t29-,30-,31+,32-,39-,40+,41+,42-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease activity				Bioorg Med Chem 17: 5238-46 (2009) Article DOI: 10.1016/j.bmc.2009.05.049 BindingDB Entry DOI: 10.7270/Q2086856
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483935 (CHEMBL1783812) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCCCCCC(O)=O |r,t:15| Show InChI InChI=1S/C36H59NO4/c1-31(2)18-20-36(30(41)37-22-10-8-9-11-29(39)40)21-19-34(6)24(25(36)23-31)12-13-27-33(5)16-15-28(38)32(3,4)26(33)14-17-35(27,34)7/h12,25-28,38H,8-11,13-23H2,1-7H3,(H,37,41)(H,39,40)/t25-,26-,27+,28-,33-,34+,35+,36-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease activity				Bioorg Med Chem 17: 5238-46 (2009) Article DOI: 10.1016/j.bmc.2009.05.049 BindingDB Entry DOI: 10.7270/Q2086856
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50315537 (CHEMBL1089316 | chaetocin) Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,THB:36:35:31.33:26.27,7:15:1.2:22.21,38:37:31.33:26.27,17:16:1.2:22.21| Show InChI InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50483932 (Betulin 3,28-Diacetate | Betulin Diacetate) Show SMILES [H][C@]12[C@@H](CC[C@]1(COC(C)=O)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C |r| Show InChI InChI=1S/C34H54O4/c1-21(2)24-12-17-34(20-37-22(3)35)19-18-32(8)25(29(24)34)10-11-27-31(7)15-14-28(38-23(4)36)30(5,6)26(31)13-16-33(27,32)9/h24-29H,1,10-20H2,2-9H3/t24-,25+,26-,27+,28-,29+,31-,32+,33+,34+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antiviral activity against HIV1 Reverse transcriptase activity				Bioorg Med Chem 17: 5238-46 (2009) Article DOI: 10.1016/j.bmc.2009.05.049 BindingDB Entry DOI: 10.7270/Q2086856
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50483934 (24-Methylenecycloartanol Ferulate | 24-Methylenecy...) Show SMILES [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CC[C@H](OC(=O)\C=C\c1ccc(O)c(OC)c1)C4(C)C)[C@H](C)CCC(=C)C(C)C |r| Show InChI InChI=1S/C41H60O4/c1-26(2)27(3)10-11-28(4)30-18-20-39(8)34-16-15-33-37(5,6)35(19-21-40(33)25-41(34,40)23-22-38(30,39)7)45-36(43)17-13-29-12-14-31(42)32(24-29)44-9/h12-14,17,24,26,28,30,33-35,42H,3,10-11,15-16,18-23,25H2,1-2,4-9H3/b17-13+/t28-,30-,33+,34+,35+,38-,39+,40-,41+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antiviral activity against HIV1 Reverse transcriptase activity				Bioorg Med Chem 17: 5238-46 (2009) Article DOI: 10.1016/j.bmc.2009.05.049 BindingDB Entry DOI: 10.7270/Q2086856
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50425308 (CHEMBL2311579) Show SMILES CN1C(=O)[C@@]23C[C@H]4[C@H](Nc5ccccc45)N2C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)SS3 |r,THB:7:15:1.2:28.29,17:16:1.2:28.29| Show InChI InChI=1S/C21H29N3O3S2Si/c1-19(2,3)30(5,6)27-12-21-18(26)24-16-14(13-9-7-8-10-15(13)22-16)11-20(24,28-29-21)17(25)23(21)4/h7-10,14,16,22H,11-12H2,1-6H3/t14-,16-,20+,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50483936 (3-O-Ferulylcycloartenol | Cycloartenol Ferulate | ...) Show SMILES [H][C@@]1([#6]-[#6][C@@]2([#6])[C@]3([H])[#6]-[#6][C@]4([H])[C@]5([#6][C@@]35[#6]-[#6][C@]12[#6])[#6]-[#6]-[#6@H](-[#8]-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])c(-[#8]-[#6])c1)C4([#6])[#6])[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6] Show InChI InChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+/t27-,29-,32+,33+,34+,37-,38+,39-,40+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antiviral activity against HIV1 Reverse transcriptase activity				Bioorg Med Chem 17: 5238-46 (2009) Article DOI: 10.1016/j.bmc.2009.05.049 BindingDB Entry DOI: 10.7270/Q2086856
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM23208 ((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,...) Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C Show InChI InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease activity				Bioorg Med Chem 17: 5238-46 (2009) Article DOI: 10.1016/j.bmc.2009.05.049 BindingDB Entry DOI: 10.7270/Q2086856
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease activity				Bioorg Med Chem 17: 5238-46 (2009) Article DOI: 10.1016/j.bmc.2009.05.049 BindingDB Entry DOI: 10.7270/Q2086856
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50346601 (NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease activity				Bioorg Med Chem 17: 5238-46 (2009) Article DOI: 10.1016/j.bmc.2009.05.049 BindingDB Entry DOI: 10.7270/Q2086856
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50483933 (CHEMBL1783816 | Karounidiol 29-Benzoate) Show SMILES [H][C@@]12CC=C3C(=CC[C@@]4(C)[C@]5([H])C[C@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]34C)[C@@]1(C)CC[C@@H](O)C2(C)C |r,c:3,5| Show InChI InChI=1S/C37H52O3/c1-32(2)28-14-13-27-26(35(28,5)17-16-30(32)38)15-18-37(7)29-23-33(3,19-20-34(29,4)21-22-36(27,37)6)24-40-31(39)25-11-9-8-10-12-25/h8-13,15,28-30,38H,14,16-24H2,1-7H3/t28-,29+,30+,33+,34+,35+,36+,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antiviral activity against HIV1 Reverse transcriptase activity				Bioorg Med Chem 17: 5238-46 (2009) Article DOI: 10.1016/j.bmc.2009.05.049 BindingDB Entry DOI: 10.7270/Q2086856
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50241944 (CHEMBL486393 | Lupenone | lupeone) Show SMILES CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12 |r| Show InChI InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antiviral activity against HIV1 Reverse transcriptase activity				Bioorg Med Chem 17: 5238-46 (2009) Article DOI: 10.1016/j.bmc.2009.05.049 BindingDB Entry DOI: 10.7270/Q2086856
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50425305 (CHEMBL2315521) Show SMILES CN1C(=O)C23CCCN2C(=O)C1(CO)SS3 Show InChI InChI=1S/C9H12N2O3S2/c1-10-6(13)8-3-2-4-11(8)7(14)9(10,5-12)16-15-8/h12H,2-5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50425304 (CHEMBL2315522) Show SMILES CN1C(=O)C23CCCN2C(=O)C1(CO)SSS3 Show InChI InChI=1S/C9H12N2O3S3/c1-10-6(13)8-3-2-4-11(8)7(14)9(10,5-12)16-17-15-8/h12H,2-5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease activity				Bioorg Med Chem 17: 5238-46 (2009) Article DOI: 10.1016/j.bmc.2009.05.049 BindingDB Entry DOI: 10.7270/Q2086856
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50396029 (CHEMBL1222849) Show SMILES CN1C(=O)[C@]23C[C@@]4([C@@H](Nc5ccccc45)N2C(=O)[C@@]1(CO)SS3)[C@@]12C[C@@]34SS[C@@](CO)(N(C)C3=O)C(=O)N4[C@@H]1Nc1ccccc21 |r,TLB:38:37:31.33:27.26,36:35:31.33:27.26,THB:17:16:1.2:21.22,7:15:1.2:21.22| Show InChI InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50425311 (CHEMBL2315526) Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)SS3)[C@]12C[C@]34SS[C@@](CO[Si](C)(C)C(C)(C)C)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,TLB:50:49:45.47:34.33,52:51:45.47:34.33,THB:7:15:1.2:28.29,17:16:1.2:28.29| Show InChI InChI=1S/C42H56N6O6S4Si2/c1-35(2,3)59(9,10)53-23-41-33(51)47-29-37(25-17-13-15-19-27(25)43-29,21-39(47,55-57-41)31(49)45(41)7)38-22-40-32(50)46(8)42(58-56-40,24-54-60(11,12)36(4,5)6)34(52)48(40)30(38)44-28-20-16-14-18-26(28)38/h13-20,29-30,43-44H,21-24H2,1-12H3/t29-,30-,37+,38+,39+,40+,41-,42-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50315537 (CHEMBL1089316 | chaetocin) Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,THB:36:35:31.33:26.27,7:15:1.2:22.21,38:37:31.33:26.27,17:16:1.2:22.21| Show InChI InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease activity				Bioorg Med Chem 17: 5238-46 (2009) Article DOI: 10.1016/j.bmc.2009.05.049 BindingDB Entry DOI: 10.7270/Q2086856
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50346601 (NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...) Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 protease activity				Bioorg Med Chem 17: 5238-46 (2009) Article DOI: 10.1016/j.bmc.2009.05.049 BindingDB Entry DOI: 10.7270/Q2086856
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50425306 (CHEMBL2315520) Show SMILES CN1C(=O)C2(S)CCCN2C(=O)C1(S)CO Show InChI InChI=1S/C9H14N2O3S2/c1-10-6(13)8(15)3-2-4-11(8)7(14)9(10,16)5-12/h12,15-16H,2-5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50425307 (CHEMBL2315523) Show SMILES CN1C(=O)[C@]23C[C@@H]4[C@@H](Nc5ccccc45)N2C(=O)[C@]1(CO[Si](C)(C)C(C)(C)C)SS3 |r,THB:7:15:1.2:28.29,17:16:1.2:28.29| Show InChI InChI=1S/C21H29N3O3S2Si/c1-19(2,3)30(5,6)27-12-21-18(26)24-16-14(13-9-7-8-10-15(13)22-16)11-20(24,28-29-21)17(25)23(21)4/h7-10,14,16,22H,11-12H2,1-6H3/t14-,16-,20+,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50425310 (CHEMBL2315525) Show SMILES CN1C(=O)[C@@]2(S)C[C@]3([C@H](Nc4ccccc34)N2C(=O)[C@@]1(S)CO)[C@]12C[C@@]3(S)N([C@H]1Nc1ccccc21)C(=O)[C@@](S)(CO)N(C)C3=O |r| Show InChI InChI=1S/C30H32N6O6S4/c1-33-21(39)27(43)11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,45)13-37)26-12-28(44)22(40)34(2)30(46,14-38)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38,43-46H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50396028 (CHEMBL1222848) Show SMILES CN1[C@H](CO)C(=O)N2[C@H](C[C@]3([C@@H]2Nc2ccccc32)[C@]23C[C@H]4N([C@H]2Nc2ccccc32)C(=O)[C@@H](CO)N(C)C4=O)C1=O |r| Show InChI InChI=1S/C30H32N6O6/c1-33-21(13-37)25(41)35-19(23(33)39)11-29(15-7-3-5-9-17(15)31-27(29)35)30-12-20-24(40)34(2)22(14-38)26(42)36(20)28(30)32-18-10-6-4-8-16(18)30/h3-10,19-22,27-28,31-32,37-38H,11-14H2,1-2H3/t19-,20-,21-,22-,27-,28-,29+,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50425312 (CHEMBL2315527) Show SMILES CN1[C@@H](CO)C(=O)N2[C@@H](C[C@@]3([C@H]2Nc2ccccc32)[C@@]23C[C@@H]4N([C@@H]2Nc2ccccc32)C(=O)[C@H](CO)N(C)C4=O)C1=O |r| Show InChI InChI=1S/C30H32N6O6/c1-33-21(13-37)25(41)35-19(23(33)39)11-29(15-7-3-5-9-17(15)31-27(29)35)30-12-20-24(40)34(2)22(14-38)26(42)36(20)28(30)32-18-10-6-4-8-16(18)30/h3-10,19-22,27-28,31-32,37-38H,11-14H2,1-2H3/t19-,20-,21-,22-,27-,28-,29+,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50425309 (CHEMBL2315524) Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@@]1(CO)S3)[C@]12C[C@]34S[C@@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r| Show InChI InChI=1S/C30H28N6O6S2/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)43-27)26-12-28-22(40)34(2)30(14-38,44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29-,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50396028 (CHEMBL1222848) Show SMILES CN1[C@H](CO)C(=O)N2[C@H](C[C@]3([C@@H]2Nc2ccccc32)[C@]23C[C@H]4N([C@H]2Nc2ccccc32)C(=O)[C@@H](CO)N(C)C4=O)C1=O |r| Show InChI InChI=1S/C30H32N6O6/c1-33-21(13-37)25(41)35-19(23(33)39)11-29(15-7-3-5-9-17(15)31-27(29)35)30-12-20-24(40)34(2)22(14-38)26(42)36(20)28(30)32-18-10-6-4-8-16(18)30/h3-10,19-22,27-28,31-32,37-38H,11-14H2,1-2H3/t19-,20-,21-,22-,27-,28-,29+,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair