BDBM50514444 CHEMBL4516172

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@H](N[C@@H](CCCNC(N)=N)C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc4ccccc4)NC1=O)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N3)N[C@@H](CCC(N)=O)C(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(C)C)[C@@H](C)O

InChI Key InChIKey=JKOALQGXLQLZSJ-DKBURXAGSA-N

Data  1 IC50  3 Kd

  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 4 hits for monomerid = 50514444   

TargetCalcium-activated potassium channel subunit beta-4(Homo sapiens)
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50514444(CHEMBL4516172)
Affinity DataKd:  5.11E+5nMAssay Description:Binding affinity to NT-495 fluorophore reagent labelled human BK beta4 (45 to 166 residues) incubated for 30 mins by microscale thermophoresis assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCalcium-activated potassium channel subunit beta-4(Homo sapiens)
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50514444(CHEMBL4516172)
Affinity DataIC50:  602nMAssay Description:Inhibition of human BK alpha/beta4 channel expressed in HEK293T cells assessed as inhibition of K+ outward current fraction at -80 mV holding potenti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCalcium-activated potassium channel subunit beta-4(Homo sapiens)
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50514444(CHEMBL4516172)
Affinity DataKd:  7.82E+5nMAssay Description:Binding affinity to NT-495 fluorophore reagent labelled human BK beta4 E104K mutant incubated for 30 mins by microscale thermophoresis assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCalcium-activated potassium channel subunit beta-4(Homo sapiens)
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50514444(CHEMBL4516172)
Affinity DataKd:  9.75E+5nMAssay Description:Binding affinity to NT-495 fluorophore reagent labelled human BK beta4 Q124A mutant incubated for 30 mins by microscale thermophoresis assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed