BDBM50601999 CHEMBL5186926

SMILES [H][C@@]1(O[C@@H]2[C@@H](CO)O[C@@H](OCCNC(=O)CCCCC(=O)NCCNC(=O)CCN(CCNC(=O)CCCCC(=O)NCCCCCCN(CC(=O)NO)S(=O)(=O)c3ccc(OC)cc3)CCC(=O)NCCNC(=O)CCCCC(=O)NCCO[C@@H]3O[C@H](CO)[C@@H](O[C@]4([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

InChI Key InChIKey=IAPGYEXCZBOFIX-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50601999   

TargetCollagenase 3(Human)
Ludwig-Maximilians-University Munich

Curated by ChEMBL
LigandPNGBDBM50601999(CHEMBL5186926)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of MMP13 (unknown origin) assessed as reduction in cleavage of colorimetric substrate incubated for 1 hr by colorimetric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed