BDBM50520394 CHEMBL4442726

SMILES Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)Nc4ccc(c(c4)F)C#N)C)/C=C/C#N

InChI Key InChIKey=WJBQILBCHRFMQR-UHFFFAOYSA-N

Data  7 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50520394   

TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50520394(CHEMBL4442726)
Affinity DataIC50: 36nMAssay Description:Inhibition of recombinant HIV-1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation in to cDNA chain incubated for 1 hr by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50520394(CHEMBL4442726)
Affinity DataIC50: 1.99E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate in presence of NADPH incubated for 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50520394(CHEMBL4442726)
Affinity DataIC50: 5.85E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin substrate in presence of NADPH incubated for 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50520394(CHEMBL4442726)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG expressed in HEK293 cells assessed as reduction in channel tail current by whole cell patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50520394(CHEMBL4442726)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate in presence of NADPH incubated for 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50520394(CHEMBL4442726)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan substrate in presence of NADPH incubated for 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50520394(CHEMBL4442726)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam substrate in presence of NADPH incubated for 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed