BDBM50175688 (4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)phenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone::CHEMBL200027::IKK-16

SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1

InChI Key InChIKey=BWZJBXAPRCVCKQ-UHFFFAOYSA-N

Data  13 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50175688   

LigandPNGBDBM50175688((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Affinity DataIC50:  2.70E+3nMpH: 7.5Assay Description:Inhibitors (initial concentration 10 or 60 μM, three-fold serial dilutions) were incubated with IRE1α* in cleavage buffer (20 mM HEPES at p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50175688((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Affinity DataIC50:  300nMAssay Description:Inhibition of LPS-induced TNFalpha release from human PBMCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetInhibitor of nuclear factor kappa-B kinase subunit beta(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50175688((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Affinity DataIC50:  40nMAssay Description:Inhibitory activity against IKK2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50175688((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Affinity DataIC50:  70nMAssay Description:Inhibitory activity against IKK complex isolated from HeLa cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetInhibitor of nuclear factor kappa-B kinase subunit alpha(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50175688((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Affinity DataIC50:  200nMAssay Description:Inhibitory activity against IKK1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50175688((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Affinity DataIC50:  300nMAssay Description:Inhibition of TNF-alpha-stimulated expression of VCAM1 in HUVEC cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGlycogen synthase kinase 3(Plasmodium falciparum (isolate 3D7))
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50175688((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Affinity DataIC50:  570nMAssay Description:Inhibition of Plasmodium falciparum GSK3 measured after 2 hrs by luciferin-based luminescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50175688((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Affinity DataIC50:  500nMAssay Description:Inhibition of TNF-alpha-stimulated expression of E-selectin in HUVEC cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50175688((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Affinity DataIC50:  300nMAssay Description:Inhibition of TNF-alpha-stimulated expression of ICAM1 in HUVEC cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetInhibitor of nuclear factor kappa-B kinase subunit beta(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50175688((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Affinity DataIC50:  40nMAssay Description:Inhibition of human IKKbeta using GST-IkappaBalpha as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProtein kinase C zeta type(Human)
Penn State University College of Medicine

Curated by ChEMBL
LigandPNGBDBM50175688((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Affinity DataEC50:  3nMAssay Description:Inhibition of atypical PKCzeta in HEK293 cells assessed as TNF-induced NFkappaB activation incubated for 3 hrs prior to TNF induction measured after ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetInhibitor of nuclear factor kappa-B kinase subunit beta(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50175688((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Affinity DataIC50:  6.46E+3nMAssay Description:Inhibition of IKKbeta (unknown origin) assessed as substrate phosphorylation using IkappaBalpha as substrate incubated for 1 hr in presence of ATP by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetInhibitor of nuclear factor kappa-B kinase subunit beta(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50175688((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Affinity DataIC50:  40nMAssay Description:Inhibition of IKKbeta in human THP-1 cells assessed as inhibition of TNFalpha-stimulated IkappaBalpha degradation by Western blot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50175688((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of TNF-alpha-stimulated IkappaBalpha degradationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed