Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'tamborini' and Initial = 'l'   

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
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50069989 ((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O Show InChI InChI=1/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/s2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...				Eur J Med Chem 76: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.01.022 BindingDB Entry DOI: 10.7270/Q23N24XM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50123588 (CHEMBL297258) Show SMILES Nc1nc2NCC3CN(C(=O)N3c2c(=O)[nH]1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Competitive inhibition of human FolD dehydrogenase activity				J Med Chem 58: 7938-48 (2015) Article DOI: 10.1021/acs.jmedchem.5b00687 BindingDB Entry DOI: 10.7270/Q2SN0BSR
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50434764 (CHEMBL2385814) Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc(Nc2ccccc2)cc1=O)B(O)O Show InChI InChI=1/C18H24BN3O4/c1-13(2)10-16(19(25)26)21-17(23)12-22-9-8-15(11-18(22)24)20-14-6-4-3-5-7-14/h3-9,11,13,16,20,25-26H,10,12H2,1-2H3,(H,21,23)/t16-/s2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...				Eur J Med Chem 76: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.01.022 BindingDB Entry DOI: 10.7270/Q23N24XM
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50434761 (CHEMBL2385819) Show SMILES CC(C)C[C@H](NC(=O)Cn1cc(Br)c2ncccc2c1=O)B(O)O Show InChI InChI=1/C15H19BBrN3O4/c1-9(2)6-12(16(23)24)19-13(21)8-20-7-11(17)14-10(15(20)22)4-3-5-18-14/h3-5,7,9,12,23-24H,6,8H2,1-2H3,(H,19,21)/t12-/s2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...				Eur J Med Chem 76: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.01.022 BindingDB Entry DOI: 10.7270/Q23N24XM
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50007725 (CHEMBL3233450) Show SMILES CC(C)C[C@H](NC(=O)CN1C=CC(CC1=O)N1CCCCC1)B(O)O Show InChI InChI=1/C17H30BN3O4/c1-13(2)10-15(18(24)25)19-16(22)12-21-9-6-14(11-17(21)23)20-7-4-3-5-8-20/h6,9,13-15,24-25H,3-5,7-8,10-12H2,1-2H3,(H,19,22)/t14?,15-/s2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL 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
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...				Eur J Med Chem 76: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.01.022 BindingDB Entry DOI: 10.7270/Q23N24XM
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50007722 (CHEMBL3233445) Show SMILES CC(C)CCNC(=O)Cn1ccc(Nc2ccccc2)cc1=O Show InChI InChI=1S/C18H23N3O2/c1-14(2)8-10-19-17(22)13-21-11-9-16(12-18(21)23)20-15-6-4-3-5-7-15/h3-7,9,11-12,14,20H,8,10,13H2,1-2H3,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...				Eur J Med Chem 76: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.01.022 BindingDB Entry DOI: 10.7270/Q23N24XM
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50434763 (CHEMBL2385817) Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ncccc2c1=O)B(O)O Show InChI InChI=1/C15H20BN3O4/c1-10(2)8-13(16(22)23)18-14(20)9-19-7-5-12-11(15(19)21)4-3-6-17-12/h3-7,10,13,22-23H,8-9H2,1-2H3,(H,18,20)/t13-/s2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...				Eur J Med Chem 76: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.01.022 BindingDB Entry DOI: 10.7270/Q23N24XM
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50007719 (CHEMBL3233441) Show SMILES CC(C)CCNC(=O)Cn1cc(Br)c2ncccc2c1=O Show InChI InChI=1S/C15H18BrN3O2/c1-10(2)5-7-17-13(20)9-19-8-12(16)14-11(15(19)21)4-3-6-18-14/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...				Eur J Med Chem 76: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.01.022 BindingDB Entry DOI: 10.7270/Q23N24XM
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50434767 (CHEMBL2385811) Show SMILES CCN(CC)c1ccn(CC(=O)N[C@@H](CC(C)C)B(O)O)c(=O)c1 Show InChI InChI=1/C16H28BN3O4/c1-5-19(6-2)13-7-8-20(16(22)10-13)11-15(21)18-14(17(23)24)9-12(3)4/h7-8,10,12,14,23-24H,5-6,9,11H2,1-4H3,(H,18,21)/t14-/s2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...				Eur J Med Chem 76: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.01.022 BindingDB Entry DOI: 10.7270/Q23N24XM
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50434762 (CHEMBL2385818) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)n1ccc2ncccc2c1=O)B(O)O Show InChI InChI=1/C16H22BN3O4/c1-10(2)9-14(17(23)24)19-15(21)11(3)20-8-6-13-12(16(20)22)5-4-7-18-13/h4-8,10-11,14,23-24H,9H2,1-3H3,(H,19,21)/t11-,14-/s2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...				Eur J Med Chem 76: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.01.022 BindingDB Entry DOI: 10.7270/Q23N24XM
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50007724 (CHEMBL3233448) Show SMILES CC(C)C[C@H](NC(=O)CN1C=CC(CC1=O)N1CCOCC1)B(O)O Show InChI InChI=1/C16H28BN3O5/c1-12(2)9-14(17(23)24)18-15(21)11-20-4-3-13(10-16(20)22)19-5-7-25-8-6-19/h3-4,12-14,23-24H,5-11H2,1-2H3,(H,18,21)/t13?,14-/s2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...				Eur J Med Chem 76: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.01.022 BindingDB Entry DOI: 10.7270/Q23N24XM
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50007727 (CHEMBL3233458) Show SMILES COc1ccc(NC(=O)Cn2ccc(Nc3ccccc3)cc2=O)cc1 Show InChI InChI=1S/C20H19N3O3/c1-26-18-9-7-16(8-10-18)22-19(24)14-23-12-11-17(13-20(23)25)21-15-5-3-2-4-6-15/h2-13,21H,14H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...				Eur J Med Chem 76: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.01.022 BindingDB Entry DOI: 10.7270/Q23N24XM
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50434760 (CHEMBL2385820) Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2N(C)CCCc2c1=O)B(O)O Show InChI InChI=1/C16H26BN3O4/c1-11(2)9-14(17(23)24)18-15(21)10-20-8-6-13-12(16(20)22)5-4-7-19(13)3/h6,8,11,14,23-24H,4-5,7,9-10H2,1-3H3,(H,18,21)/t14-/s2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...				Eur J Med Chem 76: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.01.022 BindingDB Entry DOI: 10.7270/Q23N24XM
					More data for this Ligand-Target Pair
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50128352 (CHEMBL3629184) Show SMILES BrC1=NOC2CN(CC12)C(=O)[C@H](CCc1ccccc1)NC(=O)OCC=C Show InChI InChI=1/C19H22BrN3O4/c1-2-10-26-19(25)21-15(9-8-13-6-4-3-5-7-13)18(24)23-11-14-16(12-23)27-22-17(14)20/h2-7,14-16H,1,8-12H2,(H,21,25)/t14?,15-,16?/s2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50128350 (CHEMBL3629186) Show SMILES BrC1=NO[C@@H]2CN(C[C@H]12)C(=O)[C@H](CCc1ccccc1)NC(=O)OCC=C Show InChI InChI=1/C19H22BrN3O4/c1-2-10-26-19(25)21-15(9-8-13-6-4-3-5-7-13)18(24)23-11-14-16(12-23)27-22-17(14)20/h2-7,14-16H,1,8-12H2,(H,21,25)/t14-,15-,16+/s2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50128351 (CHEMBL3629185) Show SMILES BrC1=NO[C@H]2CN(C[C@@H]12)C(=O)[C@H](CCc1ccccc1)NC(=O)OCC=C Show InChI InChI=1/C19H22BrN3O4/c1-2-10-26-19(25)21-15(9-8-13-6-4-3-5-7-13)18(24)23-11-14-16(12-23)27-22-17(14)20/h2-7,14-16H,1,8-12H2,(H,21,25)/t14-,15+,16+/s2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50007720 (CHEMBL3233459) Show SMILES O=C(Cn1ccc(Nc2ccccc2)cc1=O)Nc1ccccc1C(=O)c1ccccc1 Show InChI InChI=1S/C26H21N3O3/c30-24(18-29-16-15-21(17-25(29)31)27-20-11-5-2-6-12-20)28-23-14-8-7-13-22(23)26(32)19-9-3-1-4-10-19/h1-17,27H,18H2,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of bovine pancreatic alpha-chymotrypsin activity assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 mins				Eur J Med Chem 76: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.01.022 BindingDB Entry DOI: 10.7270/Q23N24XM
					More data for this Ligand-Target Pair
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50128345 (CHEMBL3629346) Show SMILES [O-][N+](=O)c1ccc(COC(=O)N[C@@H](CCc2ccccc2)C(=O)N2C[C@H]3ON=C(Br)[C@H]3C2)cc1 Show InChI InChI=1/C23H23BrN4O6/c24-21-18-12-27(13-20(18)34-26-21)22(29)19(11-8-15-4-2-1-3-5-15)25-23(30)33-14-16-6-9-17(10-7-16)28(31)32/h1-7,9-10,18-20H,8,11-14H2,(H,25,30)/t18-,19-,20+/s2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50007726 (CHEMBL3233455) Show SMILES O=C(Cn1ccccc1=O)NC12CC3CC(CC(C3)C1)C2 Show InChI InChI=1S/C17H22N2O2/c20-15(11-19-4-2-1-3-16(19)21)18-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14H,5-11H2,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...				Eur J Med Chem 76: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.01.022 BindingDB Entry DOI: 10.7270/Q23N24XM
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50007723 (CHEMBL3233447) Show SMILES CC(C)CCNC(=O)Cn1ccc(cc1=O)N1CCOCC1 Show InChI InChI=1S/C16H25N3O3/c1-13(2)3-5-17-15(20)12-19-6-4-14(11-16(19)21)18-7-9-22-10-8-18/h4,6,11,13H,3,5,7-10,12H2,1-2H3,(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...				Eur J Med Chem 76: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.01.022 BindingDB Entry DOI: 10.7270/Q23N24XM
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50007720 (CHEMBL3233459) Show SMILES O=C(Cn1ccc(Nc2ccccc2)cc1=O)Nc1ccccc1C(=O)c1ccccc1 Show InChI InChI=1S/C26H21N3O3/c30-24(18-29-16-15-21(17-25(29)31)27-20-11-5-2-6-12-20)28-23-14-8-7-13-22(23)26(32)19-9-3-1-4-10-19/h1-17,27H,18H2,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...				Eur J Med Chem 76: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.01.022 BindingDB Entry DOI: 10.7270/Q23N24XM
					More data for this Ligand-Target Pair
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50128349 (CHEMBL3629339) Show SMILES CC(C)C[C@H](NC(=O)OCC=C)C(=O)N1CC2ON=C(Br)C2C1 Show InChI InChI=1/C15H22BrN3O4/c1-4-5-22-15(21)17-11(6-9(2)3)14(20)19-7-10-12(8-19)23-18-13(10)16/h4,9-12H,1,5-8H2,2-3H3,(H,17,21)/t10?,11-,12?/s2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50128354 (CHEMBL3629181) Show SMILES BrC1=NOC2CN(CC12)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1/C22H22BrN3O4/c23-20-17-12-26(13-19(17)30-25-20)21(27)18(11-15-7-3-1-4-8-15)24-22(28)29-14-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2,(H,24,28)/t17?,18-,19?/s2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50128347 (CHEMBL3629341) Show SMILES CC(C)C[C@H](NC(=O)OCC=C)C(=O)N1C[C@H]2ON=C(Br)[C@H]2C1 Show InChI InChI=1/C15H22BrN3O4/c1-4-5-22-15(21)17-11(6-9(2)3)14(20)19-7-10-12(8-19)23-18-13(10)16/h4,9-12H,1,5-8H2,2-3H3,(H,17,21)/t10-,11-,12+/s2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50128348 (CHEMBL3629340) Show SMILES CC(C)C[C@H](NC(=O)OCC=C)C(=O)N1C[C@@H]2ON=C(Br)[C@@H]2C1 Show InChI InChI=1/C15H22BrN3O4/c1-4-5-22-15(21)17-11(6-9(2)3)14(20)19-7-10-12(8-19)23-18-13(10)16/h4,9-12H,1,5-8H2,2-3H3,(H,17,21)/t10-,11+,12+/s2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50007721 (CHEMBL3233443) Show SMILES CC(C)CCNC(=O)Cn1ccc2NCCCc2c1=O Show InChI InChI=1S/C15H23N3O2/c1-11(2)5-8-17-14(19)10-18-9-6-13-12(15(18)20)4-3-7-16-13/h6,9,11,16H,3-5,7-8,10H2,1-2H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 min...				Eur J Med Chem 76: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.01.022 BindingDB Entry DOI: 10.7270/Q23N24XM
					More data for this Ligand-Target Pair
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50128346 (CHEMBL3629344) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2ON=C(Br)C2C1 Show InChI InChI=1/C16H26BrN3O4/c1-9(2)6-11(18-15(22)23-16(3,4)5)14(21)20-7-10-12(8-20)24-19-13(10)17/h9-12H,6-8H2,1-5H3,(H,18,22)/t10?,11-,12?/s2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50128355 (CHEMBL3629180) Show SMILES BrC1=NO[C@@H]2CN(C[C@H]12)C(=O)[C@H](Cc1ccccc1)NC(=O)OCC=C Show InChI InChI=1/C18H20BrN3O4/c1-2-8-25-18(24)20-14(9-12-6-4-3-5-7-12)17(23)22-10-13-15(11-22)26-21-16(13)19/h2-7,13-15H,1,8-11H2,(H,20,24)/t13-,14-,15+/s2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50128356 (CHEMBL3629179) Show SMILES BrC1=NO[C@H]2CN(C[C@@H]12)C(=O)[C@H](Cc1ccccc1)NC(=O)OCC=C Show InChI InChI=1/C18H20BrN3O4/c1-2-8-25-18(24)20-14(9-12-6-4-3-5-7-12)17(23)22-10-13-15(11-22)26-21-16(13)19/h2-7,13-15H,1,8-11H2,(H,20,24)/t13-,14+,15+/s2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50128357 (CHEMBL3629178) Show SMILES BrC1=NOC2CN(CC12)C(=O)[C@H](Cc1ccccc1)NC(=O)OCC=C Show InChI InChI=1/C18H20BrN3O4/c1-2-8-25-18(24)20-14(9-12-6-4-3-5-7-12)17(23)22-10-13-15(11-22)26-21-16(13)19/h2-7,13-15H,1,8-11H2,(H,20,24)/t13?,14-,15?/s2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50128353 (CHEMBL3629183) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2ON=C(Br)C2C1 Show InChI InChI=1/C19H24BrN3O4/c1-19(2,3)26-18(25)21-14(9-12-7-5-4-6-8-12)17(24)23-10-13-15(11-23)27-22-16(13)20/h4-8,13-15H,9-11H2,1-3H3,(H,21,25)/t13?,14-,15?/s2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Proteasome component C5 (Homo sapiens (Human))	BDBM50007719 (CHEMBL3233441) Show SMILES CC(C)CCNC(=O)Cn1cc(Br)c2ncccc2c1=O Show InChI InChI=1S/C15H18BrN3O2/c1-10(2)5-7-17-13(20)9-19-8-12(16)14-11(15(19)21)4-3-6-18-14/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of caspase-like activity of human 20S proteasome beta 1 subunit assessed as Cbz-Leu-Leu-Glu-AMC substrate hydrolysis after 10 mins by fluo...				Eur J Med Chem 76: 1-9 (2014) Article DOI: 10.1016/j.ejmech.2014.01.022 BindingDB Entry DOI: 10.7270/Q23N24XM
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC6				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC1				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC3				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Histone Deacetylase 10 (HDAC10) (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC10				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC2				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50326167 (CHEMBL1243261 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...) Show SMILES ONC(=O)c1cc(CCCCC(=O)Nc2ccccc2)on1 Show InChI InChI=1S/C15H17N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,10,21H,4-5,8-9H2,(H,16,19)(H,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC6				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50326168 (CHEMBL1243289 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...) Show SMILES ONC(=O)C1=NOC(CCCCC(=O)Nc2ccccc2)C1 Show InChI InChI=1/C15H19N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,12,21H,4-5,8-10H2,(H,16,19)(H,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC6				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50436754 (CHEMBL2402103) Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(NC(=O)Nc2ccc(Cl)cc2)cs1 Show InChI InChI=1S/C17H11ClF3N3OS/c18-12-5-7-13(8-6-12)22-16(25)24-14-9-26-15(23-14)10-1-3-11(4-2-10)17(19,20)21/h1-9H,(H2,22,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 56: 5637-58 (2014) Article DOI: 10.1021/jm301424d BindingDB Entry DOI: 10.7270/Q24T6KR9
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50436753 (CHEMBL2402107) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C17H14Cl2N2O3S/c1-2-24-16(23)10-3-6-12(7-4-10)20-17(25)21-15(22)11-5-8-13(18)14(19)9-11/h3-9H,2H2,1H3,(H2,20,21,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 56: 5637-58 (2014) Article DOI: 10.1021/jm301424d BindingDB Entry DOI: 10.7270/Q24T6KR9
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50436751 (CHEMBL2402109) Show SMILES O=C(NC(=S)Nc1ncccc1OCc1ccccc1)c1cccn1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H20N4O4S2/c29-23(20-13-8-16-28(20)34(30,31)19-11-5-2-6-12-19)27-24(33)26-22-21(14-7-15-25-22)32-17-18-9-3-1-4-10-18/h1-16H,17H2,(H2,25,26,27,29,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 56: 5637-58 (2014) Article DOI: 10.1021/jm301424d BindingDB Entry DOI: 10.7270/Q24T6KR9
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50436752 (CHEMBL2402102) Show SMILES Cn1nc(cc1-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1)C(F)(F)F Show InChI InChI=1S/C17H12F6N4OS/c1-27-11(8-13(26-27)17(21,22)23)12-5-6-14(29-12)25-15(28)24-10-4-2-3-9(7-10)16(18,19)20/h2-8H,1H3,(H2,24,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 56: 5637-58 (2014) Article DOI: 10.1021/jm301424d BindingDB Entry DOI: 10.7270/Q24T6KR9
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (Homo sapiens (Human))	BDBM50009672 (AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...) Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB 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
Universit£ degli Studi di Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT1 expressed in Sf9 cells assessed as incorporation of [3H]S-adenosyl methionine into hemimethylated oligonucleoti...				J Med Chem 54: 7663-77 (2011) Article DOI: 10.1021/jm2010404 BindingDB Entry DOI: 10.7270/Q28S4Q98
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50326167 (CHEMBL1243261 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...) Show SMILES ONC(=O)c1cc(CCCCC(=O)Nc2ccccc2)on1 Show InChI InChI=1S/C15H17N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,10,21H,4-5,8-9H2,(H,16,19)(H,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC1				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50436750 (CHEMBL2402106) Show SMILES CS(=O)(=O)c1sc(C(=O)NC(=S)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12 Show InChI InChI=1S/C18H13F3N2O4S3/c1-30(25,26)16-13-5-3-2-4-12(13)14(29-16)15(24)23-17(28)22-10-6-8-11(9-7-10)27-18(19,20)21/h2-9H,1H3,(H2,22,23,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 56: 5637-58 (2014) Article DOI: 10.1021/jm301424d BindingDB Entry DOI: 10.7270/Q24T6KR9
					More data for this Ligand-Target Pair
Histone Deacetylase 10 (HDAC10) (Homo sapiens (Human))	BDBM50326167 (CHEMBL1243261 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...) Show SMILES ONC(=O)c1cc(CCCCC(=O)Nc2ccccc2)on1 Show InChI InChI=1S/C15H17N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,10,21H,4-5,8-9H2,(H,16,19)(H,17,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC10				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50326168 (CHEMBL1243289 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...) Show SMILES ONC(=O)C1=NOC(CCCCC(=O)Nc2ccccc2)C1 Show InChI InChI=1/C15H19N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,12,21H,4-5,8-10H2,(H,16,19)(H,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC1				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50326167 (CHEMBL1243261 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...) Show SMILES ONC(=O)c1cc(CCCCC(=O)Nc2ccccc2)on1 Show InChI InChI=1S/C15H17N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,10,21H,4-5,8-9H2,(H,16,19)(H,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC2				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Histone Deacetylase 10 (HDAC10) (Homo sapiens (Human))	BDBM50326168 (CHEMBL1243289 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...) Show SMILES ONC(=O)C1=NOC(CCCCC(=O)Nc2ccccc2)C1 Show InChI InChI=1/C15H19N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,12,21H,4-5,8-10H2,(H,16,19)(H,17,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC10				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair

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