Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 706.8 BDBM50464963

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

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-2 (Homo sapiens (Human))	BDBM50464963 (CHEMBL4292640) Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C40H46N6O6/c41-22-10-9-17-34(44-36(47)32(42)23-27-18-20-30(21-19-27)52-26-29-13-5-2-6-14-29)38(49)45-35(37(48)43-25-28-11-3-1-4-12-28)24-40(51)31-15-7-8-16-33(31)46-39(40)50/h1-8,11-16,18-21,32,34-35,51H,9-10,17,22-26,41-42H2,(H,43,48)(H,44,47)(H,45,49)(H,46,50)/t32-,34-,35-,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	520	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human 20S constitutive proteasome beta-2 using BocLRR-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay				Eur J Med Chem 145: 570-587 (2018) Article DOI: 10.1016/j.ejmech.2018.01.013 BindingDB Entry DOI: 10.7270/Q2959M74
					More data for this Ligand-Target Pair
Proteasome subunit beta type-10 (Homo sapiens (Human))	BDBM50464963 (CHEMBL4292640) Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C40H46N6O6/c41-22-10-9-17-34(44-36(47)32(42)23-27-18-20-30(21-19-27)52-26-29-13-5-2-6-14-29)38(49)45-35(37(48)43-25-28-11-3-1-4-12-28)24-40(51)31-15-7-8-16-33(31)46-39(40)50/h1-8,11-16,18-21,32,34-35,51H,9-10,17,22-26,41-42H2,(H,43,48)(H,44,47)(H,45,49)(H,46,50)/t32-,34-,35-,40+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human 20S immunoproteasome beta-2 using BocLRR-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay				Eur J Med Chem 145: 570-587 (2018) Article DOI: 10.1016/j.ejmech.2018.01.013 BindingDB Entry DOI: 10.7270/Q2959M74
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50464963 (CHEMBL4292640) Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C40H46N6O6/c41-22-10-9-17-34(44-36(47)32(42)23-27-18-20-30(21-19-27)52-26-29-13-5-2-6-14-29)38(49)45-35(37(48)43-25-28-11-3-1-4-12-28)24-40(51)31-15-7-8-16-33(31)46-39(40)50/h1-8,11-16,18-21,32,34-35,51H,9-10,17,22-26,41-42H2,(H,43,48)(H,44,47)(H,45,49)(H,46,50)/t32-,34-,35-,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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human 20S constitutive proteasome beta-5 using Suc-LLVY-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence ass...				Eur J Med Chem 145: 570-587 (2018) Article DOI: 10.1016/j.ejmech.2018.01.013 BindingDB Entry DOI: 10.7270/Q2959M74
					More data for this Ligand-Target Pair
Proteasome subunit beta type-8 (Homo sapiens (Human))	BDBM50464963 (CHEMBL4292640) Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C40H46N6O6/c41-22-10-9-17-34(44-36(47)32(42)23-27-18-20-30(21-19-27)52-26-29-13-5-2-6-14-29)38(49)45-35(37(48)43-25-28-11-3-1-4-12-28)24-40(51)31-15-7-8-16-33(31)46-39(40)50/h1-8,11-16,18-21,32,34-35,51H,9-10,17,22-26,41-42H2,(H,43,48)(H,44,47)(H,45,49)(H,46,50)/t32-,34-,35-,40+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human 20S immunoproteasome beta-5 using Suc-LLVY-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay				Eur J Med Chem 145: 570-587 (2018) Article DOI: 10.1016/j.ejmech.2018.01.013 BindingDB Entry DOI: 10.7270/Q2959M74
					More data for this Ligand-Target Pair
Proteasome subunit beta type-9 (Homo sapiens (Human))	BDBM50464963 (CHEMBL4292640) Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C40H46N6O6/c41-22-10-9-17-34(44-36(47)32(42)23-27-18-20-30(21-19-27)52-26-29-13-5-2-6-14-29)38(49)45-35(37(48)43-25-28-11-3-1-4-12-28)24-40(51)31-15-7-8-16-33(31)46-39(40)50/h1-8,11-16,18-21,32,34-35,51H,9-10,17,22-26,41-42H2,(H,43,48)(H,44,47)(H,45,49)(H,46,50)/t32-,34-,35-,40+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay				Eur J Med Chem 145: 570-587 (2018) Article DOI: 10.1016/j.ejmech.2018.01.013 BindingDB Entry DOI: 10.7270/Q2959M74
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1 (Homo sapiens (Human))	BDBM50464963 (CHEMBL4292640) Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C40H46N6O6/c41-22-10-9-17-34(44-36(47)32(42)23-27-18-20-30(21-19-27)52-26-29-13-5-2-6-14-29)38(49)45-35(37(48)43-25-28-11-3-1-4-12-28)24-40(51)31-15-7-8-16-33(31)46-39(40)50/h1-8,11-16,18-21,32,34-35,51H,9-10,17,22-26,41-42H2,(H,43,48)(H,44,47)(H,45,49)(H,46,50)/t32-,34-,35-,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	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human 20S constitutive proteasome beta-1 using Z-LLE-betaNA as substrate incubated for 15 mins measured for 45 mins by fluorescence ass...				Eur J Med Chem 145: 570-587 (2018) Article DOI: 10.1016/j.ejmech.2018.01.013 BindingDB Entry DOI: 10.7270/Q2959M74
					More data for this Ligand-Target Pair