UCSF

ZINC02568458

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 14 No

Popular Name: BAY 11-7082 BAY 11-7082

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CAS Number: 19542-67-7

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.22 3.95 -10.24 0 3 0 58 207.254 2 ↓

Vendor Notes

Note Type Comments Provided By
Target I¦ÊB/IKK Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TF65-3-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 3000 0.55 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TF65_HUMAN Q04206 Nuclear Factor NF-kappa-B P65 Subunit, Human 3000 0.55 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of NF-kappaB in B cells
DEx/H-box helicases activate type I IFN and inflammatory cytokines production
Downstream TCR signaling
FCERI mediated NF-kB activation
Interleukin-1 processing
NF-kB is activated and signals survival
Regulated proteolysis of p75NTR
RIP-mediated NFkB activation via ZBP1
Senescence-Associated Secretory Phenotype (SASP)
TAK1 activates NFkB by phosphorylation and activation of IKKs complex
TRAF6 mediated NF-kB activation
Transcriptional regulation of white adipocyte differentiation

Analogs ( Draw Identity 99% 90% 80% 70% )