BDBM50540846 CHEMBL4646510

SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)[C@H](O[C@@H]1C(F)(F)F)c1cc(F)ccc1F

InChI Key InChIKey=GUBOXFWNNXSQNH-UHFFFAOYSA-N

Data  40 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 50540846   

TargetCytochrome P450 2D6(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2B6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A5(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP3A5 using midazolam as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP3A4 using midazolam as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2C8More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A5(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP3A5 using testosterone as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP3A4 using testosterone as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2E1(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2E1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2B6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG by manual whole-cell patch-clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetDipeptidyl peptidase 9(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant DPP9 incubated for 15 mins using Gly-Pro-7-AMC substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetDipeptidyl peptidase 8(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant DPP8 incubated for 15 mins using Gly-Pro-7-AMC substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 4.20nMAssay Description:Inhibition of human recombinant DPP4 incubated for 15 mins using Gly-Pro-7-AMC substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 7.63E+4nMAssay Description:Inhibition of recombinant human CYP2C8More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A5(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP3A5 using testosterone as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A5(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 4.58E+4nMAssay Description:Inhibition of recombinant human CYP3A5 using midazolam as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP3A4 using testosterone as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2E1(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2E1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2B6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 4.58E+4nMAssay Description:Inhibition of recombinant human CYP3A4 using midazolam as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A5(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP3A5 using midazolam as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP3A4 using midazolam as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2C8More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A5(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP3A5 using testosterone as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP3A4 using testosterone as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2E1(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2E1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Haisco Pharmaceutical Group

Curated by ChEMBL
LigandPNGBDBM50540846(CHEMBL4646510)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed