BDBM50613747 CHEMBL5280124

SMILES CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](OCCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)/C=C/c4ccc(F)cc4Cl)C(N)=O)C(=O)O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C

InChI Key InChIKey=BQJQHHXUJDRCSN-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 50613747   

TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Shenzhen Salubris Pharmaceuticals Co.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50613747BDBM50613747(CHEMBL5280124)
Affinity DataIC50: 4.79E+3nMAssay Description:Antagonist activity at NOD1 in human HEK-Blue hNOD1 cells assessed as inhibition of C12-iE-DAP-induced SEAP release preincubated for 3 hrs followed b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetNucleotide-binding oligomerization domain-containing protein 2(Human)
Shenzhen Salubris Pharmaceuticals Co.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50613747BDBM50613747(CHEMBL5280124)
Affinity DataIC50: 1.31E+4nMAssay Description:Antagonist activity at NOD2 in human HEK-Blue hNOD2 cells assessed as inhibition of MDP-induced NOD2 activationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed