Compile Data Set for Download or QSAR

Found 1836 hits with Last Name = 'nath' and Initial = 'c'   

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
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119876 (SL932 | US9073941, 503) Show SMILES COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1Cl Show InChI InChI=1S/C15H16BrClN4O4S/c1-21(26(23,24)13-5-9(16)7-19-15(13)18)8-14(22)20-10-3-4-12(25-2)11(17)6-10/h3-7H,8H2,1-2H3,(H2,18,19)(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Prephenate dehydrogenase (Mycobacterium tuberculosis H37Rv)	BDBM119876 (SL932 | US9073941, 503) Show SMILES COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1Cl Show InChI InChI=1S/C15H16BrClN4O4S/c1-21(26(23,24)13-5-9(16)7-19-15(13)18)8-14(22)20-10-3-4-12(25-2)11(17)6-10/h3-7H,8H2,1-2H3,(H2,18,19)(H,20,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119877 (SL809 | US9073941, 502) Show SMILES COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1OC Show InChI InChI=1S/C16H19BrN4O5S/c1-21(27(23,24)14-6-10(17)8-19-16(14)18)9-15(22)20-11-4-5-12(25-2)13(7-11)26-3/h4-8H,9H2,1-3H3,(H2,18,19)(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119878 (SL827 | US9073941, 500) Show SMILES COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1 Show InChI InChI=1S/C15H17BrN4O4S/c1-20(25(22,23)13-7-10(16)8-18-15(13)17)9-14(21)19-11-3-5-12(24-2)6-4-11/h3-8H,9H2,1-2H3,(H2,17,18)(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119880 (SL418) Show SMILES CN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(Br)cnc1N Show InChI InChI=1S/C14H13BrClFN4O3S/c1-21(25(23,24)12-4-8(15)6-19-14(12)18)7-13(22)20-9-2-3-11(17)10(16)5-9/h2-6H,7H2,1H3,(H2,18,19)(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Prephenate dehydrogenase (Mycobacterium tuberculosis H37Rv)	BDBM119878 (SL827 | US9073941, 500) Show SMILES COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1 Show InChI InChI=1S/C15H17BrN4O4S/c1-20(25(22,23)13-7-10(16)8-18-15(13)17)9-14(21)19-11-3-5-12(24-2)6-4-11/h3-8H,9H2,1-2H3,(H2,17,18)(H,19,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Prephenate dehydrogenase (Mycobacterium tuberculosis H37Rv)	BDBM119877 (SL809 | US9073941, 502) Show SMILES COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1OC Show InChI InChI=1S/C16H19BrN4O5S/c1-21(27(23,24)14-6-10(17)8-19-16(14)18)9-15(22)20-11-4-5-12(25-2)13(7-11)26-3/h4-8H,9H2,1-3H3,(H2,18,19)(H,20,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119879 (SL917 | US9073941, 505) Show SMILES CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1 Show InChI InChI=1S/C17H21BrN4O3S/c1-11(2)12-4-6-14(7-5-12)21-16(23)10-22(3)26(24,25)15-8-13(18)9-20-17(15)19/h4-9,11H,10H2,1-3H3,(H2,19,20)(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	233	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Prephenate dehydrogenase (Mycobacterium tuberculosis H37Rv)	BDBM119879 (SL917 | US9073941, 505) Show SMILES CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1 Show InChI InChI=1S/C17H21BrN4O3S/c1-11(2)12-4-6-14(7-5-12)21-16(23)10-22(3)26(24,25)15-8-13(18)9-20-17(15)19/h4-9,11H,10H2,1-3H3,(H2,19,20)(H,21,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Prephenate dehydrogenase (Mycobacterium tuberculosis H37Rv)	BDBM119880 (SL418) Show SMILES CN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(Br)cnc1N Show InChI InChI=1S/C14H13BrClFN4O3S/c1-21(25(23,24)12-4-8(15)6-19-14(12)18)7-13(22)20-9-2-3-11(17)10(16)5-9/h2-6H,7H2,1H3,(H2,18,19)(H,20,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	333	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50010993 (CHEMBL3265177) Show SMILES [O-][N+](=O)c1cccc(c1)-c1nsc(=O)o1 Show InChI InChI=1S/C8H4N2O4S/c11-8-14-7(9-15-8)5-2-1-3-6(4-5)10(12)13/h1-4H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...				ACS Med Chem Lett 5: 405-10 (2014) Article DOI: 10.1021/ml400531d BindingDB Entry DOI: 10.7270/Q2PZ5BCF
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50010988 (CHEMBL3259882) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)-c1nsc(=O)o1 |r| Show InChI InChI=1S/C19H17N3O4S/c1-12(23)20-16(11-13-5-3-2-4-6-13)17(24)21-15-9-7-14(8-10-15)18-22-27-19(25)26-18/h2-10,16H,11H2,1H3,(H,20,23)(H,21,24)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...				ACS Med Chem Lett 5: 405-10 (2014) Article DOI: 10.1021/ml400531d BindingDB Entry DOI: 10.7270/Q2PZ5BCF
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50010986 (CHEMBL2336253) Show SMILES Cc1sc(cc1[N+]([O-])=O)-c1nsc(=O)o1 Show InChI InChI=1S/C7H4N2O4S2/c1-3-4(9(11)12)2-5(14-3)6-8-15-7(10)13-6/h2H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...				ACS Med Chem Lett 5: 405-10 (2014) Article DOI: 10.1021/ml400531d BindingDB Entry DOI: 10.7270/Q2PZ5BCF
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50010997 (CHEMBL3265182) Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1nsc(=O)o1 Show InChI InChI=1S/C13H14N2O4S/c1-13(2,3)19-11(16)14-9-6-4-8(5-7-9)10-15-20-12(17)18-10/h4-7H,1-3H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...				ACS Med Chem Lett 5: 405-10 (2014) Article DOI: 10.1021/ml400531d BindingDB Entry DOI: 10.7270/Q2PZ5BCF
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50010995 (CHEMBL3265180) Show SMILES O=c1oc(ns1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C10H6N2O2S/c13-10-14-9(12-15-10)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...				ACS Med Chem Lett 5: 405-10 (2014) Article DOI: 10.1021/ml400531d BindingDB Entry DOI: 10.7270/Q2PZ5BCF
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50011003 (CHEMBL3259879) Show SMILES O=c1oc(ns1)-c1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C13H14N2O3S/c16-13-18-12(14-19-13)11-3-1-2-10(8-11)9-15-4-6-17-7-5-15/h1-3,8H,4-7,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...				ACS Med Chem Lett 5: 405-10 (2014) Article DOI: 10.1021/ml400531d BindingDB Entry DOI: 10.7270/Q2PZ5BCF
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50010999 (CHEMBL3259876) Show SMILES O=c1oc(ns1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C14H9NO2S/c16-14-17-13(15-18-14)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...				ACS Med Chem Lett 5: 405-10 (2014) Article DOI: 10.1021/ml400531d BindingDB Entry DOI: 10.7270/Q2PZ5BCF
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50011001 (CHEMBL3259877) Show SMILES Oc1cc(cc(O)c1O)-c1nsc(=O)o1 Show InChI InChI=1S/C8H5NO5S/c10-4-1-3(2-5(11)6(4)12)7-9-15-8(13)14-7/h1-2,10-12H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...				ACS Med Chem Lett 5: 405-10 (2014) Article DOI: 10.1021/ml400531d BindingDB Entry DOI: 10.7270/Q2PZ5BCF
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50010996 (CHEMBL3265181) Show SMILES FC(F)(F)c1ccccc1-c1nsc(=O)o1 Show InChI InChI=1S/C9H4F3NO2S/c10-9(11,12)6-4-2-1-3-5(6)7-13-16-8(14)15-7/h1-4H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...				ACS Med Chem Lett 5: 405-10 (2014) Article DOI: 10.1021/ml400531d BindingDB Entry DOI: 10.7270/Q2PZ5BCF
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50010994 (CHEMBL3265178) Show SMILES O=c1oc(ns1)-c1ccccn1 Show InChI InChI=1S/C7H4N2O2S/c10-7-11-6(9-12-7)5-3-1-2-4-8-5/h1-4H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...				ACS Med Chem Lett 5: 405-10 (2014) Article DOI: 10.1021/ml400531d BindingDB Entry DOI: 10.7270/Q2PZ5BCF
					More data for this Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase (Homo sapiens (Human))	BDBM50347871 (CHEMBL1802618) Show SMILES Cc1[nH]c2ccccc2c1-c1ccnc(NCCc2c[nH]c3ccccc23)n1 Show InChI InChI=1S/C23H21N5/c1-15-22(18-7-3-5-9-20(18)27-15)21-11-13-25-23(28-21)24-12-10-16-14-26-19-8-4-2-6-17(16)19/h2-9,11,13-14,26-27H,10,12H2,1H3,(H,24,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant PKR				Bioorg Med Chem Lett 21: 4108-14 (2011) Article DOI: 10.1016/j.bmcl.2011.04.149 BindingDB Entry DOI: 10.7270/Q2KK9C4H
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50010991 (CHEMBL3259884) Show SMILES [N-]=[N+]=Nc1ccc(cc1)-c1nsc(=O)o1 Show InChI InChI=1S/C8H4N4O2S/c9-12-10-6-3-1-5(2-4-6)7-11-15-8(13)14-7/h1-4H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...				ACS Med Chem Lett 5: 405-10 (2014) Article DOI: 10.1021/ml400531d BindingDB Entry DOI: 10.7270/Q2PZ5BCF
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50010987 (CHEMBL3259880) Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)-c1nsc(=O)o1 |r| Show InChI InChI=1S/C19H17N3O4S/c1-12(23)20-16(11-13-5-3-2-4-6-13)17(24)21-15-9-7-14(8-10-15)18-22-27-19(25)26-18/h2-10,16H,11H2,1H3,(H,20,23)(H,21,24)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...				ACS Med Chem Lett 5: 405-10 (2014) Article DOI: 10.1021/ml400531d BindingDB Entry DOI: 10.7270/Q2PZ5BCF
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50011002 (CHEMBL3259878) Show SMILES O=c1oc(ns1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C14H9NO2S/c16-14-17-13(15-18-14)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...				ACS Med Chem Lett 5: 405-10 (2014) Article DOI: 10.1021/ml400531d BindingDB Entry DOI: 10.7270/Q2PZ5BCF
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50332796 (5-phenyl-1,3,4-oxathiazol-2-one | CHEMBL1632533) Show SMILES O=c1oc(ns1)-c1ccccc1 Show InChI InChI=1S/C8H5NO2S/c10-8-11-7(9-12-8)6-4-2-1-3-5-6/h1-5H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...				ACS Med Chem Lett 5: 405-10 (2014) Article DOI: 10.1021/ml400531d BindingDB Entry DOI: 10.7270/Q2PZ5BCF
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554394 (CHEMBL4784875) Show SMILES C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1cccc2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554392 (CHEMBL4751044) Show SMILES COC[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)c1cc(C)on1)C(=O)NCc1ccc(F)c2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554397 (CHEMBL4741140) Show SMILES COC[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1ccc(F)c2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554389 (CHEMBL4796570) Show SMILES C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)c1cc(C)on1)C(=O)NCc1ccc(F)c2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554385 (CHEMBL4764897) Show SMILES C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554386 (CHEMBL4758484) Show SMILES C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1ccc(F)c2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554384 (CHEMBL4784015) Show SMILES COC[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554395 (CHEMBL4763116) Show SMILES C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1ccc(F)c2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554358 (CHEMBL4754892) Show SMILES COC[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554357 (CHEMBL4516988) Show SMILES CC(C)(C)ONC(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCc1cccc2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554388 (CHEMBL4759896) Show SMILES C[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)NCc1cccc2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554359 (CHEMBL4758527) Show SMILES C[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50326249 (CHEMBL1243360 | ethyl 5-(dimethylcarbamoyloxy)-1-m...) Show SMILES CCOC(=O)C1=CN(C)c2cccc(OC(=O)N(C)C)c2C1 |t:5| Show InChI InChI=1S/C16H20N2O4/c1-5-21-15(19)11-9-12-13(18(4)10-11)7-6-8-14(12)22-16(20)17(2)3/h6-8,10H,5,9H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human AChE by Ellmans test				J Med Chem 53: 6490-505 (2010) Article DOI: 10.1021/jm100573q BindingDB Entry DOI: 10.7270/Q23R0T3D
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554383 (CHEMBL4782251) Show SMILES COC[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50326250 ((3aR,9bS)-1-methyl-1,2,3,3a,4,9b-hexahydrothiochro...) Show SMILES CNC(=O)Oc1ccc2[C@@H]3[C@@H](CCN3C)CSc2c1 |r| Show InChI InChI=1S/C14H18N2O2S/c1-15-14(17)18-10-3-4-11-12(7-10)19-8-9-5-6-16(2)13(9)11/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,15,17)/t9-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.11	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human AChE by Ellmans test				J Med Chem 53: 6490-505 (2010) Article DOI: 10.1021/jm100573q BindingDB Entry DOI: 10.7270/Q23R0T3D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10961 ((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...) Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3CC)ccc1N2C |r| Show InChI InChI=1S/C22H27N3O2/c1-5-15-8-6-7-9-18(15)23-21(26)27-16-10-11-19-17(14-16)22(2)12-13-24(3)20(22)25(19)4/h6-11,14,20H,5,12-13H2,1-4H3,(H,23,26)/t20-,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human AChE by Ellmans test				J Med Chem 53: 6490-505 (2010) Article DOI: 10.1021/jm100573q BindingDB Entry DOI: 10.7270/Q23R0T3D
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554393 (CHEMBL4764263) Show SMILES COC[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)c1cc(C)on1)C(=O)NCc1ccc(F)c2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554391 (CHEMBL4776824) Show SMILES COC[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)c1cc(C)on1)C(=O)NCc1cccc2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554365 (CHEMBL4764833) Show SMILES COC[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc(OC)c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10973 ((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...) Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3C(C)C)ccc1N2C |r| Show InChI InChI=1S/C23H29N3O2/c1-15(2)17-8-6-7-9-19(17)24-22(27)28-16-10-11-20-18(14-16)23(3)12-13-25(4)21(23)26(20)5/h6-11,14-15,21H,12-13H2,1-5H3,(H,24,27)/t21-,23+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human AChE by Ellmans test				J Med Chem 53: 6490-505 (2010) Article DOI: 10.1021/jm100573q BindingDB Entry DOI: 10.7270/Q23R0T3D
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554388 (CHEMBL4759896) Show SMILES C[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)NCc1cccc2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity in human KARPAS-1106P cells incubated for 2 hrs by proteasome-Glo assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554396 (CHEMBL4764229) Show SMILES C[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1ccc(F)c2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50326251 ((3aR,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benz...) Show SMILES CNC(=O)Oc1ccc2[C@@H]3[C@@H](CCN3C)CCc2c1 |r| Show InChI InChI=1S/C15H20N2O2/c1-16-15(18)19-12-5-6-13-11(9-12)4-3-10-7-8-17(2)14(10)13/h5-6,9-10,14H,3-4,7-8H2,1-2H3,(H,16,18)/t10-,14+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17.3	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human AChE by Ellmans test				J Med Chem 53: 6490-505 (2010) Article DOI: 10.1021/jm100573q BindingDB Entry DOI: 10.7270/Q23R0T3D
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM651205 (US20240043470, Compound 4-13) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50554390 (CHEMBL4784421) Show SMILES C[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)c1cc(C)on1)C(=O)NCc1ccc(F)c2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01520 BindingDB Entry DOI: 10.7270/Q22R3WB6
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1836 total )  |  Next  |  Last  >>

Jump to: