BDBM50119296 CHEMBL3613816

SMILES: COC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1CCCCNC(=O)\C=C\[C@H](Cc2ccccc2F)NC1=O)C(C)C

InChI Key: InChIKey=CUQABLPYNDUVHK-NUAOEIINSA-N

Data: 1 KI

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 1 hit for monomerid = 50119296   

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))	BDBM50119296 (CHEMBL3613816) 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](Cc2ccccc2F)NC1=O)C(C)C |r,t:24| Show InChI InChI=1S/C29H42FN5O6/c1-17(2)24(34-29(40)35-25(18(3)4)28(39)41-5)27(38)33-22-12-8-9-15-31-23(36)14-13-20(32-26(22)37)16-19-10-6-7-11-21(19)30/h6-7,10-11,13-14,17-18,20,22,24-25H,8-9,12,15-16H2,1-5H3,(H,31,36)(H,32,37)(H,33,38)(H2,34,35,40)/b14-13+/t20-,22+,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	906	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
					More data for this Ligand-Target Pair