BDBM50552915 CHEMBL4798111

SMILES C[C@H](CN1CCC[C@@H]1C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F

InChI Key InChIKey=DBWSFWPXCPNWRZ-UHFFFAOYSA-N

Data  18 IC50  5 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50552915   

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataKd:  3.90E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate incubated for 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using (S)-(+)-mephenytoin as substrate incubated for 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate incubated for 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataKd: >5.00E+3nMAssay Description:Displacement of [3H]4-DAMP from human recombinant M4 receptor incubated for 1 hr by radiometric scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataKd: >5.00E+3nMAssay Description:Displacement of [3H]4-DAMP from human recombinant M3 receptor incubated for 1 hr by radiometric scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataKd: >5.00E+3nMAssay Description:Displacement of [3H]AF-DX384 from human recombinant M2 receptor incubated for 1 hr by radiometric scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataKd: >5.00E+3nMAssay Description:Displacement of [3H]pirenzapine from human recombinant M1 receptor incubated for 1 hr by radiometric scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetHistone deacetylase 4(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataIC50: 10nMAssay Description:Inhibition of HDAC4 (unknown origin) using Boc Lys(TFA) as substrate by fluorogenic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetHistone deacetylase 1/2/3/8(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataIC50: 9.90E+3nMAssay Description:Inhibition of Class 1 HDAC in human HEK293 cells using H4K12 as substrate by fluorogenic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetHistone deacetylase 4(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataIC50: 40nMAssay Description:Inhibition of Class 2A HDAC4 in human Jurkat E6.1 cells using Boc-Lys-(TFA)-AMC as substrate by fluorogenic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataIC50: 2.20E+4nMAssay Description:Inhibition of HDAC6 (unknown origin) expressed in human HEK-Freestyle cells using Boc-Lys(Ac) as substrate by fluorogenic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of HDAC8 (unknown origin) using Boc-Lys(TFA) as substrate by fluorogenic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of HDAC3/NCOR2 (unknown origin) using Boc-Lys(Ac) as substrate by fluorogenic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataIC50: 2.70E+4nMAssay Description:Inhibition of HDAC2 (unknown origin) using Ac-Arg-Gly-Lys(Ac) as substrate by fluorogenic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of HDAC1 (unknown origin) using Ac-Arg-Gly-Lys(Ac) as substrate by fluorogenic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetHistone deacetylase 9(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataIC50: 30nMAssay Description:Inhibition of HDAC9 (unknown origin) using Boc Lys(TFA) as substrate by fluorogenic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetHistone deacetylase 7(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataIC50: 20nMAssay Description:Inhibition of HDAC7 (unknown origin) using Boc Lys(TFA) as substrate by fluorogenic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetHistone deacetylase 5(Human)
Charles River Discovery

Curated by ChEMBL
LigandPNGBDBM50552915(CHEMBL4798111)
Affinity DataIC50: 20nMAssay Description:Inhibition of HDAC5 (unknown origin) using Boc Lys(TFA) as substrate by fluorogenic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed