BDBM50600526 CHEMBL5188431

SMILES [H][C@]12OC[C@@H](Oc3cc4nc(c(F)cc4[nH]3)-c3ccc(cc3)-c3ccc(cn3)N=S(C)(C)=O)[C@@]1([H])OC[C@H]2O

InChI Key InChIKey=QOUCWMXCPGCHJJ-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50600526   

TargetCytochrome P450 2C19(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50600526(CHEMBL5188431)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50600526(CHEMBL5188431)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using 7-ethoxyresorufin as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50600526(CHEMBL5188431)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50600526(CHEMBL5188431)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50600526(CHEMBL5188431)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using terfenedine as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed