Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50044173   

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
Proteasome subunit beta type-5 (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 |r| Show InChI InChI=1S/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-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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)
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50434764 (CHEMBL2385814) Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc(Nc2ccccc2)cc1=O)B(O)O |r| Show InChI InChI=1S/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-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50434761 (CHEMBL2385819) Show SMILES CC(C)C[C@H](NC(=O)Cn1cc(Br)c2ncccc2c1=O)B(O)O |r| Show InChI InChI=1S/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-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50007725 (CHEMBL3233450) Show SMILES CC(C)C[C@H](NC(=O)CN1C=CC(CC1=O)N1CCCCC1)B(O)O |r,c:10| Show InChI InChI=1S/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-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Proteasome subunit beta type-5 (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 antibodypedia GoogleScholar AffyNet	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
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50434763 (CHEMBL2385817) Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ncccc2c1=O)B(O)O |r| Show InChI InChI=1S/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-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Proteasome subunit beta type-5 (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 antibodypedia GoogleScholar AffyNet	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
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50434767 (CHEMBL2385811) Show SMILES CCN(CC)c1ccn(CC(=O)N[C@@H](CC(C)C)B(O)O)c(=O)c1 |r| Show InChI InChI=1S/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-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50434762 (CHEMBL2385818) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)n1ccc2ncccc2c1=O)B(O)O |r| Show InChI InChI=1S/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-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50007724 (CHEMBL3233448) Show SMILES CC(C)C[C@H](NC(=O)CN1C=CC(CC1=O)N1CCOCC1)B(O)O |r,c:10| Show InChI InChI=1S/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-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Proteasome subunit beta type-5 (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 antibodypedia GoogleScholar AffyNet	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
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50434760 (CHEMBL2385820) Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2N(C)CCCc2c1=O)B(O)O |r| Show InChI InChI=1S/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-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Chymotrypsinogen A (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 AffyNet	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
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50007726 (CHEMBL3233455) Show SMILES O=C(Cn1ccccc1=O)NC12CC3CC(CC(C3)C1)C2 |THB:10:11:14:18.16.17,16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| 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 antibodypedia GoogleScholar AffyNet	Purchase 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
Proteasome subunit beta type-5 (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 antibodypedia GoogleScholar AffyNet	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
Proteasome subunit beta type-5 (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 antibodypedia GoogleScholar AffyNet	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
Proteasome subunit beta type-5 (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 antibodypedia GoogleScholar AffyNet	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
Proteasome subunit beta type-1 (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 antibodypedia GoogleScholar AffyNet	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