BDBM50517689 CHEMBL4453186

SMILES Cc1cc(\C=C\C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCN(CC3)S(C)(=O)=O)cc2)n1

InChI Key InChIKey=SPQWDVLQSPPBAJ-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 = 50517689   

TargetCytochrome P450 2D6(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50517689(CHEMBL4453186)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 20 mins in presence of NADP by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50517689(CHEMBL4453186)
Affinity DataIC50: 67nMAssay Description:Inhibition of HIV1 reverse transcriptase p66/p51 using poly(rA)/oligo(dT)16 as template/primer measured after 40 mins by pico-green based spectrofluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50517689(CHEMBL4453186)
Affinity DataIC50: 2.70E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 20 mins in presence of NADP by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50517689(CHEMBL4453186)
Affinity DataIC50: 2.05E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 3 mins in presence of NADP by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50517689(CHEMBL4453186)
Affinity DataIC50: 68nMAssay Description:Inhibition of HIV1 reverse transcriptase p66/p51 using poly(rA)/oligo(dT)16 as template/primer measured after 40 mins by pico-green based spectrofluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50517689(CHEMBL4453186)
Affinity DataIC50: 2.23E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 10 mins in presence of NADP by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50517689(CHEMBL4453186)
Affinity DataIC50: 7.82E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 10 mins in presence of NADP by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50517689(CHEMBL4453186)
Affinity DataIC50: 33nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed