BindingDB logo
myBDB logout

BDBM50119295 CHEMBL3613815

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(c2)C(F)(F)F)NC1=O)C(C)C

InChI Key: InChIKey=RVOGDTZMTAPZGJ-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 = 50119295   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
20S proteasome chymotrypsin-like


(Homo sapiens (Human))		BDBM50119295
PNG
(CHEMBL3613815)
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(c2)C(F)(F)F)NC1=O)C(C)C |r,t:24|
Show InChI InChI=1S/C30H42F3N5O6/c1-17(2)24(37-29(43)38-25(18(3)4)28(42)44-5)27(41)36-22-11-6-7-14-34-23(39)13-12-21(35-26(22)40)16-19-9-8-10-20(15-19)30(31,32)33/h8-10,12-13,15,17-18,21-22,24-25H,6-7,11,14,16H2,1-5H3,(H,34,39)(H,35,40)(H,36,41)(H2,37,38,43)/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

Patents
PubMed
 7.58E+3n/an/an/an/an/an/an/an/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