BDBM50115772 CHEMBL3609094

SMILES [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@]([H])(CSSC[C@]([H])(NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC

InChI Key InChIKey=PFWOJTLVNOZSGQ-RIMJLNMDSA-N

Data  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 5 hits for monomerid = 50115772   

TargetPotassium voltage-gated channel subfamily A member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50115772(CHEMBL3609094)
Affinity DataIC50:  3.76nMAssay Description:Antagonist activity at Kv1.3 in human whole blood assessed as inhibition of thapsigargin-induced IL-2 secretion incubated for 30 prior to thapsigargi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily A member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50115772(CHEMBL3609094)
Affinity DataIC50:  3.11nMAssay Description:Antagonist activity at Kv1.3 in human whole blood assessed as inhibition of thapsigargin-induced IFN-gamma secretion incubated for 30 prior to thapsi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50115772(CHEMBL3609094)
Affinity DataIC50:  0.0230nMAssay Description:Displacement of [125I]-ChTX from mouse Kv1.3 after 20 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily A member 1(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50115772(CHEMBL3609094)
Affinity DataIC50:  0.847nMAssay Description:Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents by manual whole-cell patch clamp electrophy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily A member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50115772(CHEMBL3609094)
Affinity DataIC50:  0.0120nMAssay Description:Antagonist activity at human Kv1.3 expressed in CHOK1 cells assessed as inhibition of potassium currents by manual whole-cell patch clamp electrophys...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed