Compile Data Set for Download or QSAR

Found 161 hits with Last Name = 'bhattarai' and Initial = 'd'   

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
Malate dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50400094 (CHEMBL427092) Show SMILES COC(=O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:18:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21| Show InChI InChI=1S/C26H29NO5/c1-31-25(30)19-2-7-23(28)22(11-19)27-24(29)15-32-21-5-3-20(4-6-21)26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18,28H,8-10,12-15H2,1H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dongguk University-Seoul Curated by ChEMBL					Assay Description Competitive inhibition of MDH2 (unknown origin) using varying NADH level by oxaloacetate-dependent NADH oxidation based Lineweaver-Burk plot				J Med Chem 57: 9522-38 (2014) Article DOI: 10.1021/jm501241g BindingDB Entry DOI: 10.7270/Q2N87CCD
					More data for this Ligand-Target Pair
Malate dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50031520 (CHEMBL3359147) Show SMILES Oc1ccc(cc1NC(=O)COc1ccc(cc1C1(N=N1)C(F)(F)F)C12CC3CC(CC(C3)C1)C2)C(=O)OCC#C |c:21,TLB:15:25:28.27.32:30,THB:26:27:30:34.25.33,26:25:28.27.32:30,33:25:28:32.31.30,33:31:28:34.26.25,15:25:28:32.31.30| Show InChI InChI=1S/C30H28F3N3O5/c1-2-7-40-27(39)20-3-5-24(37)23(11-20)34-26(38)16-41-25-6-4-21(12-22(25)29(35-36-29)30(31,32)33)28-13-17-8-18(14-28)10-19(9-17)15-28/h1,3-6,11-12,17-19,37H,7-10,13-16H2,(H,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dongguk University-Seoul Curated by ChEMBL					Assay Description Competitive inhibition of MDH2 (unknown origin) using varying NADH level by oxaloacetate-dependent NADH oxidation based Lineweaver-Burk plot				J Med Chem 57: 9522-38 (2014) Article DOI: 10.1021/jm501241g BindingDB Entry DOI: 10.7270/Q2N87CCD
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50524277 (CHEMBL4451741) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(CO)CO1 |r| Show InChI InChI=1S/C40H57N5O8/c1-27(2)21-32(36(48)40(25-46)26-53-40)42-39(51)34(23-30-13-9-6-10-14-30)44-38(50)33(22-28(3)4)43-37(49)31(16-15-29-11-7-5-8-12-29)41-35(47)24-45-17-19-52-20-18-45/h5-14,27-28,31-34,46H,15-26H2,1-4H3,(H,41,47)(H,42,51)(H,43,49)(H,44,50)/t31-,32-,33-,34-,40+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of 20S proteasome beta5 subunit in human RPMI8226 cell lysate using Suc-LLVY-AMC as substrate pretreated for 1 hr followed by substrate ad...				J Med Chem 62: 4444-4455 (2019) Article DOI: 10.1021/acs.jmedchem.8b01943 BindingDB Entry DOI: 10.7270/Q2W95DK8
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50277889 (CARFILZOMIB | CHEMBL451887) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of 20S proteasome beta5 subunit in human RPMI8226 cell lysate using Suc-LLVY-AMC as substrate pretreated for 1 hr followed by substrate ad...				J Med Chem 62: 4444-4455 (2019) Article DOI: 10.1021/acs.jmedchem.8b01943 BindingDB Entry DOI: 10.7270/Q2W95DK8
					More data for this Ligand-Target Pair
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436 (Homo sapiens (Human))	BDBM50277889 (CARFILZOMIB | CHEMBL451887) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome chymotrypsin-like activity in human RPMI-8226 cells using Suc-LLVY-AMC as fluorogenic substrate incubated for 3 hr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50524278 (CHEMBL4449204) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(COS(C)(=O)=O)CO1 |r| Show InChI InChI=1S/C41H59N5O10S/c1-28(2)22-33(37(48)41(26-55-41)27-56-57(5,52)53)43-40(51)35(24-31-14-10-7-11-15-31)45-39(50)34(23-29(3)4)44-38(49)32(17-16-30-12-8-6-9-13-30)42-36(47)25-46-18-20-54-21-19-46/h6-15,28-29,32-35H,16-27H2,1-5H3,(H,42,47)(H,43,51)(H,44,49)(H,45,50)/t32-,33-,34-,35-,41-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of 20S proteasome beta5 subunit in human RPMI8226 cell lysate using Suc-LLVY-AMC as substrate pretreated for 1 hr followed by substrate ad...				J Med Chem 62: 4444-4455 (2019) Article DOI: 10.1021/acs.jmedchem.8b01943 BindingDB Entry DOI: 10.7270/Q2W95DK8
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538158 (CHEMBL4632784) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C33H42N4O6/c1-21(2)17-26(30(40)33(4)20-43-33)35-31(41)27(18-23-12-14-25(15-13-23)24-9-6-5-7-10-24)36-32(42)28-11-8-16-37(28)29(39)19-34-22(3)38/h5-7,9-10,12-15,21,26-28H,8,11,16-20H2,1-4H3,(H,34,38)(H,35,41)(H,36,42)/t26-,27-,28-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50573691 (CHEMBL4845896) Show SMILES C[C@@]1(CO1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)c1cccc(=O)[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 activity in human RPMI-8226 cells using Ac-PAL-AMC as fluorogenic substrate incubated for 72 hrs by fluoresce...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538170 (CHEMBL4640135) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C31H40N4O6/c1-19(2)15-24(28(38)31(4)18-41-31)33-29(39)25(16-22-11-7-10-21-9-5-6-12-23(21)22)34-30(40)26-13-8-14-35(26)27(37)17-32-20(3)36/h5-7,9-12,19,24-26H,8,13-18H2,1-4H3,(H,32,36)(H,33,39)(H,34,40)/t24-,25-,26-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538161 (CHEMBL4646371) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C27H38N4O6/c1-17(2)13-20(24(34)27(4)16-37-27)29-25(35)21(14-19-9-6-5-7-10-19)30-26(36)22-11-8-12-31(22)23(33)15-28-18(3)32/h5-7,9-10,17,20-22H,8,11-16H2,1-4H3,(H,28,32)(H,29,35)(H,30,36)/t20-,21-,22-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 activity in human RPMI-8226 cells using Ac-PAL-AMC as fluorogenic substrate incubated for 72 hrs by fluoresce...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50573696 (CHEMBL4877277) Show SMILES [H][C@@]12CCCN1C(=O)CCCCCCCOc1ccc(C[C@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 activity in human RPMI-8226 cells using Ac-PAL-AMC as fluorogenic substrate incubated for 72 hrs by fluoresce...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538157 (CHEMBL4647658) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(=O)c2cnccn2)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C32H41N7O7/c1-19(2)14-23(28(42)32(4)18-46-32)37-29(43)24(38-31(45)26-6-5-13-39(26)27(41)17-35-20(3)40)15-21-7-9-22(10-8-21)36-30(44)25-16-33-11-12-34-25/h7-12,16,19,23-24,26H,5-6,13-15,17-18H2,1-4H3,(H,35,40)(H,36,44)(H,37,43)(H,38,45)/t23-,24-,26-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538171 (CHEMBL4645467) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C31H40N4O6/c1-19(2)14-24(28(38)31(4)18-41-31)33-29(39)25(16-21-11-12-22-8-5-6-9-23(22)15-21)34-30(40)26-10-7-13-35(26)27(37)17-32-20(3)36/h5-6,8-9,11-12,15,19,24-26H,7,10,13-14,16-18H2,1-4H3,(H,32,36)(H,33,39)(H,34,40)/t24-,25-,26-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50573693 (CHEMBL4879354) Show SMILES [H][C@@]12CCCN1C(=O)CCCCCCCOc1ccc(C[C@H](NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 activity in human RPMI-8226 cells using Ac-PAL-AMC as fluorogenic substrate incubated for 72 hrs by fluoresce...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50573697 (CHEMBL4867231) Show SMILES [H][C@@]12CCCN1C(=O)CCCCCOC[C@H](NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 activity in human RPMI-8226 cells using Ac-PAL-AMC as fluorogenic substrate incubated for 72 hrs by fluoresce...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50524273 (CHEMBL4447840) Show SMILES CCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(CO)CO1 |r| Show InChI InChI=1S/C19H34N2O5/c1-5-6-7-8-9-16(23)20-14(4)18(25)21-15(10-13(2)3)17(24)19(11-22)12-26-19/h13-15,22H,5-12H2,1-4H3,(H,20,23)(H,21,25)/t14-,15-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of purified human 20S immunoproteasome beta1 subunit using Ac-Pro-Ala-Leu-AMC as substrate pretreated for 1 hr followed by substrate addit...				J Med Chem 62: 4444-4455 (2019) Article DOI: 10.1021/acs.jmedchem.8b01943 BindingDB Entry DOI: 10.7270/Q2W95DK8
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50007203 (CHEMBL3237875) Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r| Show InChI InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP7 in human 20S immunoproteasome using Ac-ANW-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538173 (CHEMBL4635741) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C28H40N4O6/c1-18(2)15-22(25(35)28(4)17-38-28)31-26(36)21(13-12-20-9-6-5-7-10-20)30-27(37)23-11-8-14-32(23)24(34)16-29-19(3)33/h5-7,9-10,18,21-23H,8,11-17H2,1-4H3,(H,29,33)(H,30,37)(H,31,36)/t21-,22-,23-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538186 (CHEMBL4639058) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C36H42N6O6/c1-23(2)18-27(32(44)36(3)22-48-36)40-34(46)28(19-24-11-13-26(14-12-24)25-8-5-4-6-9-25)41-35(47)30-10-7-17-42(30)31(43)21-39-33(45)29-20-37-15-16-38-29/h4-6,8-9,11-16,20,23,27-28,30H,7,10,17-19,21-22H2,1-3H3,(H,39,45)(H,40,46)(H,41,47)/t27-,28-,30-,36+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50573703 (CHEMBL4870740) Show SMILES [H][C@@]12CCCN1C(=O)CNC(=O)CCCCCCOC[C@H](NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 using Ac-PAL-AMC as fluorogenic substrate measured every minute for 1 hr by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50573702 (CHEMBL4867229) Show SMILES [H][C@@]12CCCN1C(=O)CNC(=O)CCCCCOC[C@H](NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 using Ac-PAL-AMC as fluorogenic substrate measured every minute for 1 hr by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538188 (CHEMBL4649310) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C30H38N6O6/c1-19(2)14-21(26(38)30(3)18-42-30)34-28(40)22(15-20-8-5-4-6-9-20)35-29(41)24-10-7-13-36(24)25(37)17-33-27(39)23-16-31-11-12-32-23/h4-6,8-9,11-12,16,19,21-22,24H,7,10,13-15,17-18H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22-,24-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538188 (CHEMBL4649310) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C30H38N6O6/c1-19(2)14-21(26(38)30(3)18-42-30)34-28(40)22(15-20-8-5-4-6-9-20)35-29(41)24-10-7-13-36(24)25(37)17-33-27(39)23-16-31-11-12-32-23/h4-6,8-9,11-12,16,19,21-22,24H,7,10,13-15,17-18H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22-,24-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 using Ac-PAL-AMC as fluorogenic substrate measured every minute for 1 hr by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538168 (CHEMBL4636386) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(=O)c2ccccc2)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C34H43N5O7/c1-21(2)17-26(30(42)34(4)20-46-34)37-32(44)27(38-33(45)28-11-8-16-39(28)29(41)19-35-22(3)40)18-23-12-14-25(15-13-23)36-31(43)24-9-6-5-7-10-24/h5-7,9-10,12-15,21,26-28H,8,11,16-20H2,1-4H3,(H,35,40)(H,36,43)(H,37,44)(H,38,45)/t26-,27-,28-,34+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538165 (CHEMBL4634638) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(F)(F)CN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C27H36F2N4O6/c1-16(2)10-19(23(36)26(4)15-39-26)31-24(37)20(11-18-8-6-5-7-9-18)32-25(38)21-12-27(28,29)14-33(21)22(35)13-30-17(3)34/h5-9,16,19-21H,10-15H2,1-4H3,(H,30,34)(H,31,37)(H,32,38)/t19-,20-,21-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538166 (CHEMBL4638678) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C27H37FN4O6/c1-16(2)12-20(24(35)27(4)15-38-27)30-25(36)21(13-18-7-9-19(28)10-8-18)31-26(37)22-6-5-11-32(22)23(34)14-29-17(3)33/h7-10,16,20-22H,5-6,11-15H2,1-4H3,(H,29,33)(H,30,36)(H,31,37)/t20-,21-,22-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538185 (CHEMBL4638653) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C34H40N6O6/c1-21(2)15-25(30(42)34(3)20-46-34)38-32(44)26(17-22-10-11-23-7-4-5-8-24(23)16-22)39-33(45)28-9-6-14-40(28)29(41)19-37-31(43)27-18-35-12-13-36-27/h4-5,7-8,10-13,16,18,21,25-26,28H,6,9,14-15,17,19-20H2,1-3H3,(H,37,43)(H,38,44)(H,39,45)/t25-,26-,28-,34+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538167 (CHEMBL4632813) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(=O)CN2CCOCC2)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C33H48N6O8/c1-21(2)16-25(30(43)33(4)20-47-33)36-31(44)26(37-32(45)27-6-5-11-39(27)29(42)18-34-22(3)40)17-23-7-9-24(10-8-23)35-28(41)19-38-12-14-46-15-13-38/h7-10,21,25-27H,5-6,11-20H2,1-4H3,(H,34,40)(H,35,41)(H,36,44)(H,37,45)/t25-,26-,27-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538154 (CHEMBL4646714) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C26H36N4O6/c1-16(2)12-19(23(33)26(4)15-36-26)28-24(34)20(13-18-8-6-5-7-9-18)29-25(35)21-10-11-30(21)22(32)14-27-17(3)31/h5-9,16,19-21H,10-15H2,1-4H3,(H,27,31)(H,28,34)(H,29,35)/t19-,20-,21-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538181 (CHEMBL4642756) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnc(C)s1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C31H41N5O6S/c1-19(2)15-23(27(38)31(4)18-42-31)35-28(39)22(13-12-21-9-6-5-7-10-21)34-29(40)24-11-8-14-36(24)26(37)17-33-30(41)25-16-32-20(3)43-25/h5-7,9-10,16,19,22-24H,8,11-15,17-18H2,1-4H3,(H,33,41)(H,34,40)(H,35,39)/t22-,23-,24-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538161 (CHEMBL4646371) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C27H38N4O6/c1-17(2)13-20(24(34)27(4)16-37-27)29-25(35)21(14-19-9-6-5-7-10-19)30-26(36)22-11-8-12-31(22)23(33)15-28-18(3)32/h5-7,9-10,17,20-22H,8,11-16H2,1-4H3,(H,28,32)(H,29,35)(H,30,36)/t20-,21-,22-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538161 (CHEMBL4646371) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C27H38N4O6/c1-17(2)13-20(24(34)27(4)16-37-27)29-25(35)21(14-19-9-6-5-7-10-19)30-26(36)22-11-8-12-31(22)23(33)15-28-18(3)32/h5-7,9-10,17,20-22H,8,11-16H2,1-4H3,(H,28,32)(H,29,35)(H,30,36)/t20-,21-,22-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 using Ac-PAL-AMC as fluorogenic substrate measured every minute for 1 hr by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538177 (CHEMBL4647618) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnc(C)s1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C30H39N5O6S/c1-18(2)13-21(26(37)30(4)17-41-30)33-27(38)22(14-20-9-6-5-7-10-20)34-28(39)23-11-8-12-35(23)25(36)16-32-29(40)24-15-31-19(3)42-24/h5-7,9-10,15,18,21-23H,8,11-14,16-17H2,1-4H3,(H,32,40)(H,33,38)(H,34,39)/t21-,22-,23-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50573696 (CHEMBL4877277) Show SMILES [H][C@@]12CCCN1C(=O)CCCCCCCOc1ccc(C[C@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 activity in human RPMI-8226 cells overexpressing ABCB1 using Ac-PAL-AMC as fluorogenic substrate incubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538180 (CHEMBL4644716) Show SMILES COc1cnc(cn1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C31H40N6O7/c1-19(2)13-21(27(39)31(3)18-44-31)35-29(41)22(14-20-9-6-5-7-10-20)36-30(42)24-11-8-12-37(24)26(38)17-34-28(40)23-15-33-25(43-4)16-32-23/h5-7,9-10,15-16,19,21-22,24H,8,11-14,17-18H2,1-4H3,(H,34,40)(H,35,41)(H,36,42)/t21-,22-,24-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50524274 (CHEMBL4532449) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)[C@@]1([#6]-[#8][Si;v4](c2ccccc2)(c2ccccc2)C([#6])([#6])[#6])[#6]-[#8]1 |r| Show InChI InChI=1S/C56H75N5O8Si/c1-40(2)34-47(51(63)56(38-68-56)39-69-70(55(5,6)7,44-24-16-10-17-25-44)45-26-18-11-19-27-45)58-54(66)49(36-43-22-14-9-15-23-43)60-53(65)48(35-41(3)4)59-52(64)46(29-28-42-20-12-8-13-21-42)57-50(62)37-61-30-32-67-33-31-61/h8-27,40-41,46-49H,28-39H2,1-7H3,(H,57,62)(H,58,66)(H,59,64)(H,60,65)/t46-,47-,48-,49-,56-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of 20S proteasome beta5 subunit in human RPMI8226 cell lysate using Suc-LLVY-AMC as substrate pretreated for 1 hr followed by substrate ad...				J Med Chem 62: 4444-4455 (2019) Article DOI: 10.1021/acs.jmedchem.8b01943 BindingDB Entry DOI: 10.7270/Q2W95DK8
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538179 (CHEMBL4648714) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNS(C)(=O)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C26H38N4O7S/c1-17(2)13-19(23(32)26(3)16-37-26)28-24(33)20(14-18-9-6-5-7-10-18)29-25(34)21-11-8-12-30(21)22(31)15-27-38(4,35)36/h5-7,9-10,17,19-21,27H,8,11-16H2,1-4H3,(H,28,33)(H,29,34)/t19-,20-,21-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538183 (CHEMBL4639510) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnc(C)s1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C36H43N5O6S/c1-22(2)17-27(32(43)36(4)21-47-36)39-33(44)28(18-24-12-14-26(15-13-24)25-9-6-5-7-10-25)40-34(45)29-11-8-16-41(29)31(42)20-38-35(46)30-19-37-23(3)48-30/h5-7,9-10,12-15,19,22,27-29H,8,11,16-18,20-21H2,1-4H3,(H,38,46)(H,39,44)(H,40,45)/t27-,28-,29-,36+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538160 (CHEMBL4641615) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C24H40N4O6/c1-6-7-9-17(22(32)27-18(12-15(2)3)21(31)24(5)14-34-24)26-23(33)19-10-8-11-28(19)20(30)13-25-16(4)29/h15,17-19H,6-14H2,1-5H3,(H,25,29)(H,26,33)(H,27,32)/t17-,18-,19-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538156 (CHEMBL4648045) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C21H34N4O7/c1-12(2)8-14(18(29)21(4)11-32-21)23-19(30)15(10-26)24-20(31)16-6-5-7-25(16)17(28)9-22-13(3)27/h12,14-16,26H,5-11H2,1-4H3,(H,22,27)(H,23,30)(H,24,31)/t14-,15-,16-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538159 (CHEMBL4633656) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C31H46N4O6/c1-19(2)15-23(27(38)31(7)18-41-31)33-28(39)24(16-21-10-12-22(13-11-21)30(4,5)6)34-29(40)25-9-8-14-35(25)26(37)17-32-20(3)36/h10-13,19,23-25H,8-9,14-18H2,1-7H3,(H,32,36)(H,33,39)(H,34,40)/t23-,24-,25-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538169 (CHEMBL4639436) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C26H37N5O6/c1-16(2)12-19(23(34)26(4)15-37-26)29-24(35)20(13-18-7-9-27-10-8-18)30-25(36)21-6-5-11-31(21)22(33)14-28-17(3)32/h7-10,16,19-21H,5-6,11-15H2,1-4H3,(H,28,32)(H,29,35)(H,30,36)/t19-,20-,21-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538163 (CHEMBL4646689) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C28H40N4O6/c1-18(2)14-21(25(35)28(4)17-38-28)30-26(36)22(15-20-10-6-5-7-11-20)31-27(37)23-12-8-9-13-32(23)24(34)16-29-19(3)33/h5-7,10-11,18,21-23H,8-9,12-17H2,1-4H3,(H,29,33)(H,30,36)(H,31,37)/t21-,22-,23-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50573693 (CHEMBL4879354) Show SMILES [H][C@@]12CCCN1C(=O)CCCCCCCOc1ccc(C[C@H](NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 20S proteasome LMP2 using Ac-PAL-AMC as fluorogenic substrate measured every minute for 1 hr by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00291 BindingDB Entry DOI: 10.7270/Q2RX9GWM
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538153 (CHEMBL4648067) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(F)(F)F)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C27H35F3N4O6/c1-16(2)12-18(22(36)26(3)15-40-26)32-23(37)19(13-17-8-5-4-6-9-17)33-24(38)20-10-7-11-34(20)21(35)14-31-25(39)27(28,29)30/h4-6,8-9,16,18-20H,7,10-15H2,1-3H3,(H,31,39)(H,32,37)(H,33,38)/t18-,19-,20-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538184 (CHEMBL4637602) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C31H40N6O6/c1-20(2)16-23(27(39)31(3)19-43-31)36-29(41)22(12-11-21-8-5-4-6-9-21)35-30(42)25-10-7-15-37(25)26(38)18-34-28(40)24-17-32-13-14-33-24/h4-6,8-9,13-14,17,20,22-23,25H,7,10-12,15-16,18-19H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/t22-,23-,25-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538187 (CHEMBL4638253) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(C)on1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C31H41N5O7/c1-19(2)15-23(27(38)31(4)18-42-31)34-29(40)22(13-12-21-9-6-5-7-10-21)33-30(41)25-11-8-14-36(25)26(37)17-32-28(39)24-16-20(3)43-35-24/h5-7,9-10,16,19,22-23,25H,8,11-15,17-18H2,1-4H3,(H,32,39)(H,33,41)(H,34,40)/t22-,23-,25-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538172 (CHEMBL4634764) Show SMILES CCc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r| Show InChI InChI=1S/C29H42N4O6/c1-6-20-9-11-21(12-10-20)15-23(27(37)31-22(14-18(2)3)26(36)29(5)17-39-29)32-28(38)24-8-7-13-33(24)25(35)16-30-19(4)34/h9-12,18,22-24H,6-8,13-17H2,1-5H3,(H,30,34)(H,31,37)(H,32,38)/t22-,23-,24-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50099954 (CHEMBL3319605) Show SMILES CCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)CO1 |r| Show InChI InChI=1S/C25H48N2O5Si/c1-10-11-12-13-14-21(28)26-19(4)23(30)27-20(15-18(2)3)22(29)25(16-31-25)17-32-33(8,9)24(5,6)7/h18-20H,10-17H2,1-9H3,(H,26,28)(H,27,30)/t19-,20-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of purified human 20S immunoproteasome beta1 subunit using Ac-Pro-Ala-Leu-AMC as substrate pretreated for 1 hr followed by substrate addit...				J Med Chem 62: 4444-4455 (2019) Article DOI: 10.1021/acs.jmedchem.8b01943 BindingDB Entry DOI: 10.7270/Q2W95DK8
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50538178 (CHEMBL4640464) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(O)n1)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C31H39N5O7/c1-19(2)15-22(27(39)31(3)18-43-31)34-29(41)23(16-20-9-5-4-6-10-20)35-30(42)24-12-8-14-36(24)26(38)17-32-28(40)21-11-7-13-25(37)33-21/h4-7,9-11,13,19,22-24H,8,12,14-18H2,1-3H3,(H,32,40)(H,33,37)(H,34,41)(H,35,42)/t22-,23-,24-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis				J Med Chem 63: 3763-3783 (2020) Article DOI: 10.1021/acs.jmedchem.0c00416 BindingDB Entry DOI: 10.7270/Q2HH6PM2
					More data for this Ligand-Target Pair

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