BDBM50586210 CHEMBL5091917

SMILES C[C@@H](NC(=O)c1ncn2C[C@H](C)N(Cc12)C(=O)Nc1ccc(F)c(c1)C#N)C(F)(F)F

InChI Key InChIKey=OZIBIXCYSAMOHV-UHFFFAOYSA-N

Data  7 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 8 hits for monomerid = 50586210   

TargetCapsid protein(HBV)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50586210(CHEMBL5091917)
Affinity DataEC50:  26nMAssay Description:Modulation of capsid assembly in HBV infected in human HepG2.2.15 cells assessed as inhibition of viral DNA replication preincubated for 3 days follo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50586210(CHEMBL5091917)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of recombinant human CYP1A2 by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50586210(CHEMBL5091917)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of recombinant human CYP2C9 by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50586210(CHEMBL5091917)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of recombinant human CYP2D6 by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50586210(CHEMBL5091917)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of recombinant human CYP3A4 using midazolam as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50586210(CHEMBL5091917)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of recombinant human CYP2C19 by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50586210(CHEMBL5091917)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50586210(CHEMBL5091917)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of recombinant human CYP3A4 using testosterone as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed