BDBM50515276 CHEMBL4463337

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(O)=O

InChI Key InChIKey=NXHCAFUXBNDVPQ-UHFFFAOYSA-N

Data  2 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50515276   

TargetToll-like receptor 4(Human)
Ajou University

Curated by ChEMBL
LigandPNGBDBM50515276(CHEMBL4463337)
Affinity DataIC50: 2.00E+4nMAssay Description:Antagonist activity at TLR4 (unknown origin) assessed as inhibition of proinflammatory cytokinesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetToll-like receptor 4(Human)
Ajou University

Curated by ChEMBL
LigandPNGBDBM50515276(CHEMBL4463337)
Affinity DataIC50: 4.00E+4nMAssay Description:Antagonist activity at TLR4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetToll-like receptor 4(Human)
Ajou University

Curated by ChEMBL
LigandPNGBDBM50515276(CHEMBL4463337)
Affinity DataKd:  1.10nMAssay Description:Binding affinity to recombinant human TLR4 assessed as dissociation constant up to 200 uM by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetLymphocyte antigen 96(Human)
Ajou University

Curated by ChEMBL
LigandPNGBDBM50515276(CHEMBL4463337)
Affinity DataKd:  4.90nMAssay Description:Binding affinity to recombinant human MD2 assessed as dissociation constant up to 200 uM by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed