BDBM50426993 CHEMBL2326539

SMILES: CC(C)[C@H](NC(=O)c1cccc(O)c1C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O

InChI Key: InChIKey=YHIZZZRSMFJLII-CMSKXGNJSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50426993   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50426993 (CHEMBL2326539) Show SMILES CC(C)[C@H](NC(=O)c1cccc(O)c1C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r| Show InChI InChI=1S/C28H38N4O7S/c1-17(2)25(32-26(35)22-6-5-7-24(34)18(22)3)28(37)31-23(16-33)27(36)30-21(12-13-40(4,38)39)14-19-8-10-20(15-29)11-9-19/h5-13,17,21,23,25,33-34H,14-16,29H2,1-4H3,(H,30,36)(H,31,37)(H,32,35)/b13-12+/t21-,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Leiden Institute of Chemistry and Netherlands Proteomics Centre Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of proteasome in human RPMI-8226 cells after 6 hrs by proteasomeGlo assay				J Med Chem 56: 1262-75 (2013) Article DOI: 10.1021/jm3016987 BindingDB Entry DOI: 10.7270/Q2TQ62VM
					More data for this Ligand-Target Pair
Proteasome Macropain subunit (Homo sapiens (Human))	BDBM50426993 (CHEMBL2326539) Show SMILES CC(C)[C@H](NC(=O)c1cccc(O)c1C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r| Show InChI InChI=1S/C28H38N4O7S/c1-17(2)25(32-26(35)22-6-5-7-24(34)18(22)3)28(37)31-23(16-33)27(36)30-21(12-13-40(4,38)39)14-19-8-10-20(15-29)11-9-19/h5-13,17,21,23,25,33-34H,14-16,29H2,1-4H3,(H,30,36)(H,31,37)(H,32,35)/b13-12+/t21-,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden Institute of Chemistry and Netherlands Proteomics Centre Curated by ChEMBL					Assay Description Inhibition of trypsin-like activity of proteasome in human RPMI-8226 cells after 6 hrs by proteasomeGlo assay				J Med Chem 56: 1262-75 (2013) Article DOI: 10.1021/jm3016987 BindingDB Entry DOI: 10.7270/Q2TQ62VM
					More data for this Ligand-Target Pair
Proteasome component C5 (Homo sapiens (Human))	BDBM50426993 (CHEMBL2326539) Show SMILES CC(C)[C@H](NC(=O)c1cccc(O)c1C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r| Show InChI InChI=1S/C28H38N4O7S/c1-17(2)25(32-26(35)22-6-5-7-24(34)18(22)3)28(37)31-23(16-33)27(36)30-21(12-13-40(4,38)39)14-19-8-10-20(15-29)11-9-19/h5-13,17,21,23,25,33-34H,14-16,29H2,1-4H3,(H,30,36)(H,31,37)(H,32,35)/b13-12+/t21-,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Leiden Institute of Chemistry and Netherlands Proteomics Centre Curated by ChEMBL					Assay Description Inhibition of caspase-like activity of proteasome in human RPMI-8226 cells after 6 hrs by proteasomeGlo assay				J Med Chem 56: 1262-75 (2013) Article DOI: 10.1021/jm3016987 BindingDB Entry DOI: 10.7270/Q2TQ62VM
					More data for this Ligand-Target Pair
20S proteasome chymotrypsin-like (Homo sapiens (Human))	BDBM50426993 (CHEMBL2326539) Show SMILES CC(C)[C@H](NC(=O)c1cccc(O)c1C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r| Show InChI InChI=1S/C28H38N4O7S/c1-17(2)25(32-26(35)22-6-5-7-24(34)18(22)3)28(37)31-23(16-33)27(36)30-21(12-13-40(4,38)39)14-19-8-10-20(15-29)11-9-19/h5-13,17,21,23,25,33-34H,14-16,29H2,1-4H3,(H,30,36)(H,31,37)(H,32,35)/b13-12+/t21-,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Leiden Institute of Chemistry and Netherlands Proteomics Centre Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of proteasome in human NCI-H929 cells after 6 hrs by proteasomeGlo assay				J Med Chem 56: 1262-75 (2013) Article DOI: 10.1021/jm3016987 BindingDB Entry DOI: 10.7270/Q2TQ62VM
					More data for this Ligand-Target Pair
Proteasome Macropain subunit (Homo sapiens (Human))	BDBM50426993 (CHEMBL2326539) Show SMILES CC(C)[C@H](NC(=O)c1cccc(O)c1C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r| Show InChI InChI=1S/C28H38N4O7S/c1-17(2)25(32-26(35)22-6-5-7-24(34)18(22)3)28(37)31-23(16-33)27(36)30-21(12-13-40(4,38)39)14-19-8-10-20(15-29)11-9-19/h5-13,17,21,23,25,33-34H,14-16,29H2,1-4H3,(H,30,36)(H,31,37)(H,32,35)/b13-12+/t21-,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Leiden Institute of Chemistry and Netherlands Proteomics Centre Curated by ChEMBL					Assay Description Inhibition of trypsin-like activity of proteasome in human NCI-H929 cells after 6 hrs by proteasomeGlo assay				J Med Chem 56: 1262-75 (2013) Article DOI: 10.1021/jm3016987 BindingDB Entry DOI: 10.7270/Q2TQ62VM
					More data for this Ligand-Target Pair
Proteasome component C5 (Homo sapiens (Human))	BDBM50426993 (CHEMBL2326539) Show SMILES CC(C)[C@H](NC(=O)c1cccc(O)c1C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r| Show InChI InChI=1S/C28H38N4O7S/c1-17(2)25(32-26(35)22-6-5-7-24(34)18(22)3)28(37)31-23(16-33)27(36)30-21(12-13-40(4,38)39)14-19-8-10-20(15-29)11-9-19/h5-13,17,21,23,25,33-34H,14-16,29H2,1-4H3,(H,30,36)(H,31,37)(H,32,35)/b13-12+/t21-,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Leiden Institute of Chemistry and Netherlands Proteomics Centre Curated by ChEMBL					Assay Description Inhibition of caspase-like activity of proteasome in human NCI-H929 cells at 200 uM after 6 hrs by proteasomeGlo assay				J Med Chem 56: 1262-75 (2013) Article DOI: 10.1021/jm3016987 BindingDB Entry DOI: 10.7270/Q2TQ62VM
					More data for this Ligand-Target Pair