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BDBM50538186 CHEMBL4639058

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1

InChI Key: InChIKey=XVLCOXUIMCXGPQ-HFNXLGBDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50538186   
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
Proteasome subunit beta type-9


(Homo sapiens (Human))		BDBM50538186
PNG
(CHEMBL4639058)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnccn1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C36H42N6O6/c1-23(2)18-27(32(44)36(3)22-48-36)40-34(46)28(19-24-11-13-26(14-12-24)25-8-5-4-6-9-25)41-35(47)30-10-7-17-42(30)31(43)21-39-33(45)29-20-37-15-16-38-29/h4-6,8-9,11-16,20,23,27-28,30H,7,10,17-19,21-22H2,1-3H3,(H,39,45)(H,40,46)(H,41,47)/t27-,28-,30-,36+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
PubMed
n/an/a 63n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis

J Med Chem 63: 3763-3783 (2020)

More data for this
Ligand-Target Pair