BDBM50530637 CHEMBL4591417

SMILES Cc1cc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)ccn1

InChI Key InChIKey=ZDESNDWWUUVJLG-UHFFFAOYSA-N

Data  18 IC50  10 Kd  6 EC50

  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 34 hits for monomerid = 50530637   

TargetBeta-2 adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at human beta2 adrenoceptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataEC50: >5.00E+4nMAssay Description:Agonist activity at human PXRMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human KCNQ1/KCNE1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAcetylcholinesterase(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataIC50: 400nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase 3A(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of PDE3A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at human beta2 adrenoceptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAryl hydrocarbon receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataEC50: >5.00E+4nMAssay Description:Agonist activity at human aryl hydrocarbon receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCalcium-dependent protein kinase 4(Plasmodium falciparum (isolate 3D7))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataKd:  50nMAssay Description:Binding affinity to CDPK4 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr by kinobeads based pull down assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCalcium-dependent protein kinase 1(Plasmodium Falciparum)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataKd:  50nMAssay Description:Binding affinity to CDPK1 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr in presence of ATP-competitive kinase inhibitor by kino...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human MAO-AMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of OATP1B1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCalcium-dependent protein kinase 1(Plasmodium Falciparum)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataKd:  50nMAssay Description:Binding affinity to CDPK1 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr by kinobeads based pull down assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human L-type CaV1.2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataEC50: >5.00E+4nMAssay Description:Agonist activity at human PXRMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAcetylcholinesterase(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataIC50: 400nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human ERG expressed in CHO cells by Q-patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetcGMP-dependent protein kinase(malaria parasite P. falciparum)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataIC50: 4.40nMAssay Description:Inhibition of Plasmodium falciparum full length N-terminal His-tagged PKG expressed in Escherichia coli RosettaTM 2(DE3) pLysS cells using FAM-GRTGRR...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human KCNQ1/KCNE1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCalcium-dependent protein kinase 4(Plasmodium falciparum (isolate 3D7))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataKd:  50nMAssay Description:Binding affinity to CDPK4 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr in presence of ATP-competitive kinase inhibitor by kino...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataIC50: 1.00E+5nMAssay Description:Antagonist activity at human beta2 adrenoceptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human ERG expressed in CHO cells by Q-patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAryl hydrocarbon receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataEC50: >5.00E+4nMAssay Description:Agonist activity at human aryl hydrocarbon receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCalcium-dependent protein kinase 1(Plasmodium Falciparum)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataKd:  50nMAssay Description:Binding affinity to CDPK1 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr by kinobeads based pull down assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetcGMP-dependent protein kinase(malaria parasite P. falciparum)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataIC50: 4.40nMAssay Description:Inhibition of Plasmodium falciparum full length N-terminal His-tagged PKG expressed in Escherichia coli RosettaTM 2(DE3) pLysS cells using FAM-GRTGRR...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human MAO-AMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataIC50: 1.00E+5nMAssay Description:Antagonist activity at human beta2 adrenoceptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCasein kinase I(Plasmodium falciparum (isolate 3D7))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataKd:  150nMAssay Description:Binding affinity to CK1 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr by kinobeads based pull down assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of OATP1B1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase 3A(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of PDE3A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human L-type CaV1.2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCalcium-dependent protein kinase 4(Plasmodium falciparum (isolate 3D7))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataKd:  50nMAssay Description:Binding affinity to CDPK4 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr by kinobeads based pull down assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCalcium-dependent protein kinase 4(Plasmodium falciparum (isolate 3D7))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataKd:  50nMAssay Description:Binding affinity to CDPK4 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr in presence of ATP-competitive kinase inhibitor by kino...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCalcium-dependent protein kinase 1(Plasmodium Falciparum)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataKd:  50nMAssay Description:Binding affinity to CDPK1 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr in presence of ATP-competitive kinase inhibitor by kino...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCasein kinase I(Plasmodium falciparum (isolate 3D7))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50530637(CHEMBL4591417)
Affinity DataKd:  150nMAssay Description:Binding affinity to CK1 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr by kinobeads based pull down assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed