BDBM50119299 CHEMBL3613818

SMILES: COC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1CCCCNC(=O)\C=C\[C@H](Cc2cc(F)cc(F)c2)NC1=O)C(C)C

InChI Key: InChIKey=UNSRKSZVYMUKBR-AAYXZSLCSA-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 = 50119299   

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))	BDBM50119299 (CHEMBL3613818) 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](Cc2cc(F)cc(F)c2)NC1=O)C(C)C |r,t:24| Show InChI InChI=1S/C29H41F2N5O6/c1-16(2)24(35-29(41)36-25(17(3)4)28(40)42-5)27(39)34-22-8-6-7-11-32-23(37)10-9-21(33-26(22)38)14-18-12-19(30)15-20(31)13-18/h9-10,12-13,15-17,21-22,24-25H,6-8,11,14H2,1-5H3,(H,32,37)(H,33,38)(H,34,39)(H2,35,36,41)/b10-9+/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	952	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