BDBM50398609 CHEMBL2141296::IXAZOMIB CITRATE::Ixazomib::MLN2238::NINLARO

SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O

InChI Key InChIKey=MXAYKZJJDUDWDS-LBPRGKRZSA-N

Data  20 IC50  1 EC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50398609   

TargetNACHT, LRR and PYD domains-containing protein 3(Mus musculus)
Guangzhou Medical University

Curated by ChEMBL

LigandBDBM50398609(CHEMBL2141296 | IXAZOMIB CITRATE | Ixazomib | MLN2...)Copy SMILESCopy InChI

Affinity DataIC50:  200nMAssay Description:Inhibition of NLRP3 inflammasome activation in LPS-primed mouse J774.A1 cells assessed as reduction in IL-1beta secretion preincubated for 1 hr follo...More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLMCE
PC cidPC sidPDBSimilars

In DepthDetails PubMed
Copy BDB DOI

TargetProteasome subunit beta type-5(Homo sapiens (Human))
Guangzhou Medical University

Curated by ChEMBL

LigandBDBM50398609(CHEMBL2141296 | IXAZOMIB CITRATE | Ixazomib | MLN2...)Copy SMILESCopy InChI

Affinity DataIC50:  2.90nMAssay Description:Inhibition of 20S proteasome beta5 subunit (unknown origin) using Suc-LLVY-AMC as flurogenic substrate measured after 1 hr by fluorescence based anal...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLMCE
PC cidPC sidPDBSimilars

In DepthDetails PubMedPDB3D Structure (crystal)
Copy BDB DOI