BDBM50598416 CHEMBL5187988

SMILES CC(C)Sc1nc(C(C#N)c2c(F)cccc2F)c(C)c(=O)[nH]1

InChI Key InChIKey=HYGDGECYHFFCPW-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 50598416   

TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50598416(CHEMBL5187988)
Affinity DataIC50: 79nMAssay Description:Inhibition of recombinant wild-type p66/p51 HIV-1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50598416(CHEMBL5187988)
Affinity DataIC50: 3.53E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using s-mephenytoin as substrate incubated for 15 to 40 mins in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50598416(CHEMBL5187988)
Affinity DataIC50: 4.04E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using sulfaphenazole as substrate incubated for 15 to 40 mins in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50598416(CHEMBL5187988)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 15 to 40 mins in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50598416(CHEMBL5187988)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 to 40 mins in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50598416(CHEMBL5187988)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4T in human liver microsomes using testosterone as substrate incubated for 15 to 40 mins in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50598416(CHEMBL5187988)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4M in human liver microsomes using midazolam as substrate incubated for 15 to 40 mins in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50598416(CHEMBL5187988)
Affinity DataIC50: 2.69E+6nMAssay Description:Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by automated patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed