BDBM50119304 CHEMBL3613823

SMILES: COC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1CCCCNC(=O)\C=C\[C@H](Cc2ccc(C)cc2)NC1=O)C(C)C

InChI Key: InChIKey=JBBMUWWYYVQQMA-MQZYGSFXSA-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 = 50119304   

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))	BDBM50119304 (CHEMBL3613823) 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](Cc2ccc(C)cc2)NC1=O)C(C)C |r,t:24| Show InChI InChI=1S/C30H45N5O6/c1-18(2)25(34-30(40)35-26(19(3)4)29(39)41-6)28(38)33-23-9-7-8-16-31-24(36)15-14-22(32-27(23)37)17-21-12-10-20(5)11-13-21/h10-15,18-19,22-23,25-26H,7-9,16-17H2,1-6H3,(H,31,36)(H,32,37)(H,33,38)(H2,34,35,40)/b15-14+/t22-,23+,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.14E+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
					More data for this Ligand-Target Pair