BDBM50517599 CHEMBL4455846

SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cnc(C)s1)C1CCCCC1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O

InChI Key: InChIKey=DXOAAWKCOREWGR-GMFYUHATSA-N

Data: 2 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 2 hits for monomerid = 50517599   

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 (Homo sapiens (Human))	BDBM50517599 (CHEMBL4455846) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cnc(C)s1)C1CCCCC1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r| Show InChI InChI=1S/C31H45N5O5S2/c1-20(2)16-26(29(37)34-25(14-15-43(4,40)41)17-22-10-12-23(18-32)13-11-22)35-31(39)28(24-8-6-5-7-9-24)36-30(38)27-19-33-21(3)42-27/h10-15,19-20,24-26,28H,5-9,16-18,32H2,1-4H3,(H,34,37)(H,35,39)(H,36,38)/b15-14+/t25-,26+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	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 20S constitutive proteasome beta 2 trypsin-like activity (unknown origin) by cell based ABPP assay				J Med Chem 62: 1626-1642 (2019) Article DOI: 10.1021/acs.jmedchem.8b01884
					More data for this Ligand-Target Pair
Proteasome subunit beta type-10 (Homo sapiens (Human))	BDBM50517599 (CHEMBL4455846) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cnc(C)s1)C1CCCCC1)C(=O)N[C@@H](Cc1ccc(CN)cc1)\C=C\S(C)(=O)=O |r| Show InChI InChI=1S/C31H45N5O5S2/c1-20(2)16-26(29(37)34-25(14-15-43(4,40)41)17-22-10-12-23(18-32)13-11-22)35-31(39)28(24-8-6-5-7-9-24)36-30(38)27-19-33-21(3)42-27/h10-15,19-20,24-26,28H,5-9,16-18,32H2,1-4H3,(H,34,37)(H,35,39)(H,36,38)/b15-14+/t25-,26+,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	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 20S immunoproteasome beta 2 (unknown origin) by cell based ABPP assay				J Med Chem 62: 1626-1642 (2019) Article DOI: 10.1021/acs.jmedchem.8b01884
					More data for this Ligand-Target Pair