Compile Data Set for Download or QSAR
Report error Found 124 Enz. Inhib. hit(s) for PDB: 4XEY
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0160nMAssay Description:Binding constant for ABL1(M351T)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0190nMAssay Description:Binding constant for ABL1(F317L)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0250nMAssay Description:Binding constant for ABL1(H396P)-non phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0290nMAssay Description:Binding constant for ABL1-non phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1 [229-512](Human)
Stony Brook University

LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0300nMAssay Description:Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against a panel...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/5/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0320nMAssay Description:Binding constant for ABL1(F317L)-non phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0370nMAssay Description:Binding constant for ABL1(Q252H)-non phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataEC50:  0.0400nMAssay Description:Inhibition of human wild type BCR-ABL expressed in mouse BAF3 cells assessed as inhibition of cell proliferation after 72 hrs by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0410nMAssay Description:Binding constant for ABL1(F317I)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0460nMAssay Description:Binding constant for ABL1-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0460nMAssay Description:Binding constant for ABL1(H396P)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0470nMAssay Description:Binding constant for ABL1(E255K)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0580nMAssay Description:Binding constant for ABL1(Y253F)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0640nMAssay Description:Binding constant for ABL1(Q252H)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.100nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.100nMAssay Description:Binding constant for ABL1(F317I)-nonphosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.138nMpH: 7.5 T: 2°CAssay Description:ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/26/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL2(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.170nMAssay Description:Binding constant for ABL2 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL2(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.170nMAssay Description:Binding constant for ABL2 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/25/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL2(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.170nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2011
Entry Details
PCBioAssayPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.200nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.200nMpH: 7.4 T: 2°CAssay Description:Inhibition of wild-type Abl and Abl T315I kinase activity was measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FRET...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.260nMAssay Description:Inhibition of human recombinant wild type ABL1 expressed in insect cells after 30 mins by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of ABL1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.300nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.300nMpH: 7.4 T: 2°CAssay Description:Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/5/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.400nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of human ABL using EAIYAAPFAKKK as substrate in presence of [gamma-33P]ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.5nMpH: 7.4 T: 2°CAssay Description:Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/5/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.530nMAssay Description:Binding constant for ABL1 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/25/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.530nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2011
Entry Details
PCBioAssayPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.600nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.600nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.700nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.700nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.700nMpH: 7.4 T: 2°CAssay Description:Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/5/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.720nMAssay Description:Binding constant for ABL1(M351T) kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/25/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.720nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2011
Entry Details
PCBioAssayPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.800nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.800nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.800nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of wild type Bcr-AblMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.900nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.900nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataIC50: 0.900nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
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