BDBM50240277 CHEMBL4061793

SMILES Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1

InChI Key InChIKey=XFWKBJBSEOZBRA-UHFFFAOYSA-N

Data  24 IC50  2 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50240277   

TargetSodium channel protein type 9 subunit alpha(Mus musculus)
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50:  15nMAssay Description:Inhibition of 50% inactivated mouse Nav1.7 expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs interval...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 9 subunit alpha(Mus musculus)
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50:  1.80nMAssay Description:Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombinMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50:  8.00E+3nMAssay Description:Antagonist activity at human alpha2B-adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataEC50: >3.00E+4nMAssay Description:Agonist activity at human muscarinic M1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50:  3.80E+3nMAssay Description:Antagonist activity at 5HT2B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of 50% inactivated human Nav1.5alpha expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs int...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam/testosterone as substrate after 30 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using warfarin as substrate after 30 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50:  3.20E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 30 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataEC50:  1.60E+4nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50:  8nMAssay Description:Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs int...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50: >3.00E+4nMAssay Description:Antagonist activity at human muscarinic M1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50:  8.00E+3nMAssay Description:Antagonist activity at alpha1D-adrenergic receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50:  2.20nMAssay Description:Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human recombinant CYP3A4 expressed in baculovirus-infected insect cells using 7-Benzoyloxy-4-trifluoromethyl coumarin substrate in pres...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -50 mV holding potential by by automated patch clamp electrophysiology...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 9 subunit alpha(Mus musculus)
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50:  3.90nMAssay Description:Inhibition of recombinant mouse Nav1.7 expressed in HEK293 cells at -70 mV holding potential by patch clamp electrophysiology methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 9 subunit alpha(Mus musculus)
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50:  1.80nMAssay Description:Inhibition of Nav1.7 in mouse DRG neurons at -70 mV holding potential by patch clamp electrophysiology methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 9 subunit alpha(Mus musculus)
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50:  390nMAssay Description:Inhibition of mouse Nav1.7 alpha expressed in HEK293 cells incubated for 5 mins measured after hyperpolarization to -115 mV for 8s followed by 20ms p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 9 subunit alpha(Mus musculus)
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50:  15nMAssay Description:Inhibition of mouse Nav1.7 alpha expressed in HEK293 cells incubated for 5 mins measured after depolarization to 7 mV for 8s followed by 20ms pulse w...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50:  120nMAssay Description:Inhibition of human Nav1.7 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding poten...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50:  0.0600nMAssay Description:Inhibition of human Nav1.6 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding poten...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50:  3.10nMAssay Description:Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombinMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium channel protein type 9 subunit alpha(Mus musculus)
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50:  3.90nMAssay Description:Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombinMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Department of Discovery Chemistry Merck

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)
Affinity DataIC50:  8.00E+3nMAssay Description:Antagonist activity at alpha2A-adrenergic receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed