BDBM50043766 CHEMBL3356009

SMILES Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1

InChI Key InChIKey=XMWUCMFVDXDRDE-NRFANRHFSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50043766   

TargetMitogen-activated protein kinase 10(Homo sapiens (Human))
Amgen

Curated by ChEMBL

LigandBDBM50043766(CHEMBL3356009)Copy SMILESCopy InChI

Affinity DataIC50:  2.50E+3nMAssay Description:Inhibition of human wild type JNK3 using biotinylated ATF2 substrate assessed as phosphorylation at thr53 on ATF2 by fluorescent plate readerMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Amgen

Curated by ChEMBL

LigandBDBM50043766(CHEMBL3356009)Copy SMILESCopy InChI

Affinity DataIC50:  13nMAssay Description:Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathway
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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