BDBM50548802 CHEMBL4788274

SMILES COc1ccccc1-c1nccc(COc2ccccc2C[C@@H](Oc2ncnc3sc(c(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4C)c23)-c2ccc(F)cc2)C(O)=O)n1

InChI Key InChIKey=PKYIMGFMRFVOMB-UHFFFAOYSA-N

Data  1 KI  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 3 hits for monomerid = 50548802   

TargetCytochrome P450 3A4(Human)
Servier Research Institute of Medicinal Chemistry

Curated by ChEMBL
LigandPNGBDBM50548802(CHEMBL4788274)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Servier Research Institute of Medicinal Chemistry

Curated by ChEMBL
LigandPNGBDBM50548802(CHEMBL4788274)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50548802(CHEMBL4788274)
Affinity DataKi:  0.0290nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed