BDBM50119288 CHEMBL3613824

SMILES: COC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1CCCCNC(=O)\C=C\[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C

InChI Key: InChIKey=UMKQTKONXFVMIV-SPZRSADBSA-N

Data: 1 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50119288   

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))	BDBM50119288 (CHEMBL3613824) Show SMILES COC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1CCCCNC(=O)\C=C\[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C |r,t:24| Show InChI InChI=1S/C31H44N6O6/c1-18(2)26(36-31(42)37-27(19(3)4)30(41)43-5)29(40)35-24-12-8-9-15-32-25(38)14-13-21(34-28(24)39)16-20-17-33-23-11-7-6-10-22(20)23/h6-7,10-11,13-14,17-19,21,24,26-27,33H,8-9,12,15-16H2,1-5H3,(H,32,38)(H,34,39)(H,35,40)(H2,36,37,42)/b14-13+/t21-,24+,26+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibition of human 20S proteasome beta5 subunit using Suc-LLVY-AMC as substrate by fluorescence assay				Bioorg Med Chem 23: 6218-22 (2015) BindingDB Entry DOI: 10.7270/Q25B0499
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