null

SMILES NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2F)cc1

InChI Key InChIKey=JESCETIFNOFKEU-SJORKVTESA-N

PDB links: 1 PDB ID matches this monomer.

  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 23 hits for monomerid = 50505255   

TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Convergence Pharmaceuticals Ltd.

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataKi: <1.00E+4nMAssay Description:Inhibition of MAO-A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2DHXPubMed
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))TBA
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 6.10E+3nMAssay Description:Concentration at which the clotting time was prolonged by twice that of the control by inhibiting thrombinMore data for this Ligand-Target Pair
TargetSodium channel protein type 4 subunit alpha(Homo sapiens (Human))
SiteOne Therapeutics

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human Nav1.4 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M90CZDPubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
SiteOne Therapeutics

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 8.40E+4nMAssay Description:Inhibition of human Nav1.5 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M90CZDPubMed
TargetSodium channel protein type 10 subunit alpha(Homo sapiens (Human))
SiteOne Therapeutics

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of human Nav1.8 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M90CZDPubMed
TargetSodium channel protein type 1 subunit alpha(Homo sapiens (Human))
SiteOne Therapeutics

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 2.20E+4nMAssay Description:Inhibition of human Nav1.1 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M90CZDPubMed
TargetSodium channel protein type 3 subunit alpha(Homo sapiens (Human))
SiteOne Therapeutics

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 2.30E+4nMAssay Description:Inhibition of human Nav1.3 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M90CZDPubMed
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))
SiteOne Therapeutics

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of human Nav1.6 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M90CZDPubMed
TargetSodium channel protein type 3 subunit alpha(Homo sapiens (Human))
SiteOne Therapeutics

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 6.31E+4nMAssay Description:Inhibition of Nav1.3 (unknown origin) expressed in HEK293 cells assessed as inhibition of sodium current incubated for 3 to 3.5 mins by electrophysio...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2DHXPubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Convergence Pharmaceuticals Ltd.

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 1.26E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2DHXPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Convergence Pharmaceuticals Ltd.

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2DHXPubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
Convergence Pharmaceuticals Ltd.

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2DHXPubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Convergence Pharmaceuticals Ltd.

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 3.10E+4nMAssay Description:Inhibition of CYP2B6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2DHXPubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Convergence Pharmaceuticals Ltd.

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2DHXPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Convergence Pharmaceuticals Ltd.

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2DHXPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Convergence Pharmaceuticals Ltd.

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 7.90E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2DHXPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Convergence Pharmaceuticals Ltd.

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2DHXPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Convergence Pharmaceuticals Ltd.

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2DHXPubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Convergence Pharmaceuticals Ltd.

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Inhibition of MAO-B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2DHXPubMed
TargetSodium channel protein type 1 subunit alpha(Homo sapiens (Human))
SiteOne Therapeutics

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 1.52E+4nMAssay 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
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
SiteOne Therapeutics

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 3.20E+3nMAssay 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
TargetSodium channel protein type 2 subunit alpha(Homo sapiens (Human))
SiteOne Therapeutics

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of human Nav1.2 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M90CZDPubMed
TargetSodium channel protein type 7 subunit alpha(Homo sapiens (Human))
SiteOne Therapeutics

Curated by ChEMBL
LigandPNGBDBM50505255(BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | GS...)copy SMILEScopy InChI
Affinity DataIC50: 3.20E+4nMAssay Description:Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M90CZDPubMed