BDBM50051088 CHEMBL3318147

SMILES [H][C@]12CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)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)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)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O

InChI Key

Data  11 IC50

  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 11 hits for monomerid = 50051088   

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

Curated by ChEMBL
LigandPNGBDBM50051088(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 DepthDetails ArticlePubMed
TargetSodium channel protein type 2 subunit alpha(Rattus norvegicus)
Purdue Pharma

Curated by ChEMBL
LigandPNGBDBM50051088(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 DepthDetails ArticlePubMed
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Purdue Pharma

Curated by ChEMBL
LigandPNGBDBM50051088(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 DepthDetails ArticlePubMed
TargetSodium channel protein type 4 subunit alpha(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50051088(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 DepthDetails ArticlePubMed
TargetSodium channel protein type 8 subunit alpha(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50051088(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 DepthDetails ArticlePubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50051088(CHEMBL3318147)
Affinity DataIC50:  180nMAssay Description:Inhibition of human Nav1.5 by PatchXpress assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 9 subunit alpha(Rattus norvegicus)
Merck

Curated by ChEMBL
LigandPNGBDBM50051088(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 DepthDetails ArticlePubMed
TargetSodium channel protein type 2 subunit alpha(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50051088(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 DepthDetails ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50051088(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 DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50051088(CHEMBL3318147)
Affinity DataIC50:  22nMAssay Description:Inhibition of human ERG by PatchXpress assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Purdue Pharma

Curated by ChEMBL
LigandPNGBDBM50051088(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 DepthDetails ArticlePubMed