BDBM482158 BDBM50242742::TAE684

SMILES CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl

InChI Key InChIKey=QQWUGDVOUVUTOY-UHFFFAOYSA-N

Data  59 IC50  450 Kd  21 EC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 530 hits for monomerid = 482158   

TargetALK tyrosine kinase receptor(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataIC50: 0.150nMAssay Description:Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hrMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetInsulin-like growth factor 1 receptor(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataIC50: 0.350nMAssay Description:Inhibition of human IGF1R using KKKSPGEYVNIEFG as substrate and [gamma-33P]ATP measured after 1 hrMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2017
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase ROS(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  0.490nMAssay Description:Binding constant for ROS1 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ULK1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  0.830nMAssay Description:Binding constant for ULK1 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetBone morphogenetic protein receptor type-1B(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  0.850nMAssay Description:Binding constant for BMPR1B kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  0.860nMAssay Description:Binding constant for LRRK2(G2019S) kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PLK4(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  0.930nMAssay Description:Binding constant for PLK4 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetLeukocyte tyrosine kinase receptor(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  0.950nMAssay Description:Binding constant for LTK kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetFocal adhesion kinase 1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  1.10nMAssay Description:Binding constant for FAK kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetProtein-tyrosine kinase 2-beta(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  1.10nMAssay Description:Binding constant for PYK2 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetALK tyrosine kinase receptor(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  1.10nMAssay Description:Binding constant for ALK kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNUAK family SNF1-like kinase 2(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  1.20nMAssay Description:Binding constant for SNARK kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetNUAK family SNF1-like kinase 2(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  1.20nMAssay Description:Binding affinity to NUAK2 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetTyrosine-protein kinase Fer(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  1.40nMAssay Description:Binding constant for FER kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  1.40nMAssay Description:Binding constant for LRRK2 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetALK tyrosine kinase receptor(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataIC50: 1.60nMAssay Description:Inhibition of purified recombinant ALK (unknown origin) after 60 mins by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNon-receptor tyrosine-protein kinase TNK1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  1.80nMAssay Description:Binding constant for TNK1 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ULK2(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  1.80nMAssay Description:Binding constant for ULK2 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetInsulin receptor(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of human InsR using myelin basic protein as substrate and [gamma-33P]ATP measured after 1 hrMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2017
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase ROS(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataIC50: 2nMAssay Description:Inhibition of ROS1 (unknown origin) expressed in mouse BA/F3 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2016
Entry Details Article
PubMed
TargetActivated CDC42 kinase 1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  2nMAssay Description:Binding constant for TNK2 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  2nMAssay Description:Binding constant for FLT3(D835Y) kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetInsulin receptor(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  2.40nMAssay Description:Binding constant for INSR kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetInsulin-like growth factor 1 receptor(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  2.70nMAssay Description:Binding constant for IGF1R kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetALK tyrosine kinase receptor(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataIC50: 3nMAssay Description:Inhibition of ALK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetALK tyrosine kinase receptor(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataEC50:  3nMAssay Description:Inhibition of ALK by cellular assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataIC50: 3nMAssay Description:Inhibition of FLT3More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetALK tyrosine kinase receptor(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataIC50: 3nMAssay Description:Inhibition of wild type ALK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase 33(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  3.20nMAssay Description:Binding constant for STK33 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetEpidermal growth factor receptor(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  3.40nMAssay Description:Binding constant for EGFR(L858R,T790M) kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetALK tyrosine kinase receptor(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataIC50: 3.70nMAssay Description:Inhibition of NPM-fused ALK (unknown origin) expressed in mouse BAF3 cells after 2 to 3 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetALK tyrosine kinase receptor(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataIC50: 4nMAssay Description:Inhibition of Tel-fused ALK kinase-mediated mouse BaF3 cell proliferationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase Fes/Fps(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  4.80nMAssay Description:Binding constant for FES kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  4.90nMAssay Description:Binding constant for FLT3(D835H) kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase DCLK1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  4.90nMAssay Description:Binding constant for DCAMKL1 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclin-G-associated kinase(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  5.30nMAssay Description:Binding constant for GAK kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  5.40nMAssay Description:Binding constant for ABL1(T315I)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetALK tyrosine kinase receptor(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataIC50: 5.5nMAssay Description:The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/25/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [1326-2527,G2019S](Human)
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataIC50: 6.10nMAssay Description:Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2021
Entry Details
Go to US Patent

TargetInsulin receptor-related protein(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  6.20nMAssay Description:Binding constant for INSRR kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetEpidermal growth factor receptor(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  7.10nMAssay Description:Binding constant for EGFR(T790M) kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataIC50: 7.80nMAssay Description:Inhibition of wild-type LRRK2 expressed in HEK293 cells using nictide and [gamma32]ATP as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2 [1326-2527](Human)
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataIC50: 7.80nMAssay Description:Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2021
Entry Details
Go to US Patent

TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  8.20nMAssay Description:Binding constant for FLT3(D835Y) kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  8.60nMAssay Description:Binding constant for FLT3(ITD) kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetALK tyrosine kinase receptor(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataIC50: 10nMAssay Description:Decrease in ALK phosphorylation in human SUDHL1 cells after 4 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetALK tyrosine kinase receptor(Mouse)
Genomics Institute of The Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataIC50: 10nMAssay Description:Decrease in ALK phosphorylation in mouse Ba/F3 NPM-ALK cells after 4 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetALK tyrosine kinase receptor(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataIC50: 10nMAssay Description:Decrease in ALK phosphorylation in human Karpas299 cells after 4 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCalcium/calmodulin-dependent protein kinase kinase 2(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  11nMAssay Description:Binding constant for CAMKK2 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ULK3(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM482158(TAE684 | BDBM50242742)
Affinity DataKd:  11nMAssay Description:Binding constant for ULK3 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
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