BDBM50460861 CHEMBL4229237

SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(C)(C)O)-c1ccc(Cl)cn1)c1ccc([n+]([O-])c1)C(F)(F)F

InChI Key InChIKey=KVJDENFESRCAQM-UHFFFAOYSA-N

Data  3 IC50  1 EC50

  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 4 hits for monomerid = 50460861   

TargetP2X purinoceptor 3(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460861(CHEMBL4229237)
Affinity DataIC50: 18nMAssay Description:Antagonist activity at recombinant human P2X3 receptor expressed in Flp-In-293 cells assessed as inhibition of CTP-induced chloride current response ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460861(CHEMBL4229237)
Affinity DataIC50: 8.20E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
LigandPNGBDBM50460861(CHEMBL4229237)
Affinity DataEC50: >3.00E+4nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetUDP-glucuronosyltransferase 1A1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460861(CHEMBL4229237)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of UGT1A1 in human liver microsomes assessed as decrease in estradiol-3 glucuronidationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed