BDBM50602416 CHEMBL5187273

SMILES C[C@@H](c1cn(nn1)-c1ccc(Cl)cc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F

InChI Key InChIKey=MJTYFRXZEQXMIA-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 50602416   

TargetCytochrome P450 3A4(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50602416(CHEMBL5187273)
Affinity DataIC50: 339nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50602416(CHEMBL5187273)
Affinity DataIC50: 652nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50602416(CHEMBL5187273)
Affinity DataIC50: 6.62E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50602416(CHEMBL5187273)
Affinity DataIC50: 1.03E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50602416(CHEMBL5187273)
Affinity DataIC50: 1.13E+4nMAssay Description:Inhibition of human ERG at -90 mV holding potentialMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50602416(CHEMBL5187273)
Affinity DataIC50: 1.57E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM50602416(CHEMBL5187273)
Affinity DataIC50: 3.12E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed