BDBM50119297 CHEMBL3613817

SMILES: COC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1CCCCNC(=O)\C=C\[C@H](Cc2cccc(F)c2)NC1=O)C(C)C

InChI Key: InChIKey=DEOHYOHTKIBCNN-SFRXAYEZSA-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 = 50119297   

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))	BDBM50119297 (CHEMBL3613817) 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](Cc2cccc(F)c2)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)33-22-11-6-7-14-31-23(36)13-12-21(32-26(22)37)16-19-9-8-10-20(30)15-19/h8-10,12-13,15,17-18,21-22,24-25H,6-7,11,14,16H2,1-5H3,(H,31,36)(H,32,37)(H,33,38)(H2,34,35,40)/b13-12+/t21-,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	592	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