BDBM50613747 CHEMBL5280124

SMILES [H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](OCCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)\C=C\c1ccc(F)cc1Cl)C(N)=O)C(O)=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1

InChI Key InChIKey=BQJQHHXUJDRCSN-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

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
LigandPNGBDBM50613747(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
LigandPNGBDBM50613747(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