BDBM50596254 CHEMBL5198665

SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1)C#N

InChI Key InChIKey=IWBMTMOXRFICLO-PMACEKPBSA-N

Data  4 KI  5 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50596254   

TargetBeta-secretase 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50596254(CHEMBL5198665)
Affinity DataKi:  1nMAssay Description:Inhibition of BACE1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCathepsin D(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50596254(CHEMBL5198665)
Affinity DataKi:  5.89E+3nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetRenin(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50596254(CHEMBL5198665)
Affinity DataKi: >1.91E+4nMAssay Description:Inhibition of human reninMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCathepsin E(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50596254(CHEMBL5198665)
Affinity DataKi: >3.06E+4nMAssay Description:Inhibition of human cathepsin EMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50596254(CHEMBL5198665)
Affinity DataIC50:  4.40E+4nMAssay Description:Inhibition of human ERG expressed in HEK cells by voltage clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50596254(CHEMBL5198665)
Affinity DataIC50:  4.82E+4nMAssay Description:Displacement of MK499 from human ERG expressed in HEK membrane by radio ligand binding competition assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetSodium channel protein type 2 subunit alpha(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50596254(CHEMBL5198665)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of NaV1.2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50596254(CHEMBL5198665)
Affinity DataIC50:  7.06E+3nMAssay Description:Inhibition of CAV1.2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50596254(CHEMBL5198665)
Affinity DataIC50:  3nMAssay Description:Inhibition of BACE1 (unknown origin) expressed in HEK293 cells expressing human APP with Swedish and London familial AD mutationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed