BDBM50051088 CHEMBL3318147

SMILES CSCC[C@@H]1NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](C(C)C)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(N)=O)CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC3=O)C(=O)N2

InChI Key InChIKey=VRUSWBLOISBSSJ-UHFFFAOYSA-N

Data  11 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50051088   

TargetSodium channel protein type 9 subunit alpha(Human)
Purdue Pharma

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50051088BDBM50051088(CHEMBL3318147)
Affinity DataIC50: 0.230nMAssay Description:Inhibition of human Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2016
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50051088BDBM50051088(CHEMBL3318147)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of rat Nav1.7 stably expressed in cells with train pulses to -20 mV at 0.1 Hz and holding potential of -90 mV by whole-cell QPatch HT assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetSodium channel protein type 9 subunit alpha(Human)
Purdue Pharma

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50051088BDBM50051088(CHEMBL3318147)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of human Nav1.7 stably expressed in cells with train pulses to -20 mV at 0.1 Hz and holding potential of -95 mV by whole-cell QPatch HT as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetSodium channel protein type 2 subunit alpha(Rat)
Purdue Pharma

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50051088BDBM50051088(CHEMBL3318147)
Affinity DataIC50: 8nMAssay Description:Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2016
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50051088BDBM50051088(CHEMBL3318147)
Affinity DataIC50: 22nMAssay Description:Inhibition of human ERG by PatchXpress assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetSodium channel protein type 9 subunit alpha(Human)
Purdue Pharma

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50051088BDBM50051088(CHEMBL3318147)
Affinity DataIC50: 44nMAssay Description:Inhibition of human Nav1.7 stably expressed in cells with train pulses to -20 mV at 0.1 Hz and holding potential of -95 mV by Qube-automated patch cl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50051088BDBM50051088(CHEMBL3318147)
Affinity DataIC50: 75nMAssay Description:Inhibition of human Nav1.6 stably expressed in cells with train pulses to -20 mV at 0.1 Hz and holding potential of -85 mV by whole-cell Qube-automat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50051088BDBM50051088(CHEMBL3318147)
Affinity DataIC50: 93nMAssay Description:Inhibition of human Nav1.4 stably expressed in cells with train pulses to -20 mV at 0.1 Hz and holding potential of -95 mV by whole-cell Qube-automat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50051088BDBM50051088(CHEMBL3318147)
Affinity DataIC50: 180nMAssay Description:Inhibition of human Nav1.5 by PatchXpress assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50051088BDBM50051088(CHEMBL3318147)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human Cav1.2 stably expressed in HEK293 cells incubated for 30 mins in dark by Fluo-4 AM dye based FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50051088BDBM50051088(CHEMBL3318147)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of human Nav1.2 stably expressed in cells with train pulses to -20 mV at 0.1 Hz and holding potential of -95 mV by Qube-automated patch cl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed