Compile Data Set for Download or QSAR
Report error Found 19 Enz. Inhib. hit(s) with all data for entry = 50016897
TargetDecaprenylphosphoryl-beta-D-ribose oxidase(Mycolicibacterium smegmatis (strain ATCC 700084 / ...)
University College London

Curated by ChEMBL
LigandPNGBDBM50517949(CHEMBL4447540)
Affinity DataIC50: 5.30nMAssay Description:Inhibition of N-terminal thioredoxin-tagged Mycobacterium smegmatis DprE1 expressed in Escherichia coli BL21(DE3) incubated for 7 days by microplate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University College London

Curated by ChEMBL
LigandPNGBDBM50589215(CHEMBL5190515)
Affinity DataIC50: 30nMAssay Description:Inhibition of His-tagged Mycobacterium tuberculosis H37Rv InhA expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by fluorescence based a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50517949(CHEMBL4447540)
Affinity DataIC50: 100nMAssay Description:Inhibition of CYP2C9 (unknown origin) using diclofenac as substrate incubated for 20 to 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPolyketide synthase Pks13(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University College London

Curated by ChEMBL
LigandPNGBDBM50520948(CHEMBL4443524)
Affinity DataIC50: 190nMAssay Description:Inhibition of Mycobacterium tuberculosis H37Rv Pks13 expressed in Escherichia coli BL21 (DE3)pLysS cells measured for 80 to 120 mins by 4-MUH assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50598090(CHEMBL5207531)
Affinity DataIC50: 560nMAssay Description:Inhibition of CYP2C19 in human liver microsome in presence of NADPH measured after 10 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50598090(CHEMBL5207531)
Affinity DataIC50: 560nMAssay Description:Inhibition of CYP2C9 in human liver microsome in presence of NADPH measured after 10 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50598090(CHEMBL5207531)
Affinity DataIC50: 560nMAssay Description:Inhibition of CYP1A2 in human liver microsome in presence of NADPH measured after 10 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50598093(CHEMBL5199365)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of hERG expressed in human HEK293 cells by whole-cell patch-clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50598086(CHEMBL5181337)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of hERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetO43924/P16499/P18545/P35913/P51160/Q13956(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50019654(CHEMBL3109802)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of PDE6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50520948(CHEMBL4443524)
Affinity DataIC50: 2.10E+4nMAssay Description:Inhibition of hERG transfected in T-REX-CHO cells incubated for 30 mins by BTC-AM dye based fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50598092(CHEMBL4473719)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsome using midazolam as substrate incubated for 10 mins in presence of NADP+ by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50583310(CHEMBL5082711)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of hERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50583310(CHEMBL5082711)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50517949(CHEMBL4447540)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of hERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50598091(CHEMBL3612958)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of hERG expressed in human HEK293 cells by manual patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50598089(CHEMBL5186224)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of hERG by Qpatch assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50598088(CHEMBL2098221 | TCMDC-142399 | GSK3011724A)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of hERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50598087(CHEMBL5181555)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of hERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed