BDBM17051 BX-795::BX-795, 3::N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide::N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl]amino}pyrimidin-2-yl)amino]phenyl}pyrrolidine-1-carboxamide

SMILES c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCNC(=O)c4cccs4)I

InChI Key InChIKey=VAVXGGRQQJZYBL-UHFFFAOYSA-N

Data  12 IC50  3 Kd  1 EC50

PDB links: 9 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 17051   

Target3-phosphoinositide-dependent protein kinase 1(Human)
Berlex Biosciences

LigandPNGBDBM17051(N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl...)
Affinity DataIC50: 6nMpH: 7.2 T: 2°CAssay Description:The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2007
Entry Details Article
PubMed
Target3-phosphoinositide-dependent protein kinase 1(Human)
Berlex Biosciences

LigandPNGBDBM17051(N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl...)
Affinity DataEC50:  26nMAssay Description:Enzyme potency (PDK1 EC50)was determined using recombinant, purified full-length human PDK1 enzyme and AKT-Thr-308-tide as substrate.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2012
Entry Details Article
PubMed
LigandPNGBDBM17051(N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl...)
Affinity DataIC50: 65nMAssay Description:Inhibition of recombinant PDK1 (unknown origin) using PDK1tide substrate incubated for 7 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2016
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ULK2(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM17051(N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl...)
Affinity DataIC50: 310nMAssay Description:Inhibition of SUMO-tagged ULK2 (unknown origin) kinase domain expressed in KRX cells using [32P]-gamma-ATP and myelin basic protein substrate incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2016
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ULK1(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM17051(N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl...)
Affinity DataIC50: 87nMAssay Description:Inhibition of SUMO-tagged ULK1 (unknown origin) kinase domain expressed in KRX cells using [32P]-gamma-ATP and myelin basic protein substrate incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2016
Entry Details Article
PubMed
TargetCyclic GMP-AMP synthase(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM17051(N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl...)
Affinity DataIC50: 60nMAssay Description:Inhibition of cGAS in human THP1 cells assessed as reduction in salmon sperm dsDNA-induced IFN-beta expression preincubated for 1 hr followed by dsDN...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2019
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase TBK1(Human)
Cellzome

Curated by ChEMBL
LigandPNGBDBM17051(N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl...)
Affinity DataKd:  158nMAssay Description:Binding affinity to TBK1 in human Ramos cell lysate incubated for 45 mins by kinobeads based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase TBK1(Human)
Cellzome

Curated by ChEMBL
LigandPNGBDBM17051(N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl...)
Affinity DataKd:  40nMAssay Description:Binding affinity to phosphorylated TBK1 in calyculin A stimulated human Ramos cell lysate incubated for 45 mins by kinobeads based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase TBK1(Human)
Cellzome

Curated by ChEMBL
LigandPNGBDBM17051(N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl...)
Affinity DataKd:  20nMAssay Description:Binding affinity to TBK1 in human HEK293/K562/placenta/HepG2 cell lysate mixture incubated for 45 mins by kinobeads based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase TBK1(Human)
Cellzome

Curated by ChEMBL
LigandPNGBDBM17051(N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl...)
Affinity DataIC50: 8nMAssay Description:Inhibition of recombinant full length human N-terminal His-tagged TBK1 using biotin-labelled Ahx-GDEDFSSFAEPG peptide as substrate preincubated with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase TBK1(Human)
Cellzome

Curated by ChEMBL
LigandPNGBDBM17051(N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl...)
Affinity DataIC50: 45nMAssay Description:Inhibition of recombinant full length human N-terminal His-tagged TBK1 using biotin-labelled Ahx-GDEDFSSFAEPG peptide as substrate preincubated with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM17051(N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl...)
Affinity DataIC50: 18nMAssay Description:Inhibition of recombinant full length human C-terminal GST-tagged IKKepsilon expressed in baculovirus expression system using biotin-labelled Ahx-GDE...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
Target3-phosphoinositide-dependent protein kinase 1(Human)
Berlex Biosciences

LigandPNGBDBM17051(N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl...)
Affinity DataIC50: 6nMAssay Description:Inhibition of PDK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetSerine/threonine-protein kinase TBK1(Human)
Cellzome

Curated by ChEMBL
LigandPNGBDBM17051(N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl...)
Affinity DataIC50: 6nMAssay Description:Inhibition of TBK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM17051(N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl...)
Affinity DataIC50: 41nMAssay Description:Inhibition of IKK epsilon (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetNUAK family SNF1-like kinase 1(Human)
University of Science and Technology (Ust)

Curated by ChEMBL
LigandPNGBDBM17051(N-{3-[(5-iodo-4-{[3-(thiophen-2-ylformamido)propyl...)
Affinity DataIC50: 5nMAssay Description:Inhibition of NUAK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed