BDBM50459091 ABL-001::ABL001::ABL001-NX::Asciminib::NVP-ABL001::US11649218, Example ABL-001

SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cc[nH]n1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1

InChI Key InChIKey=VOVZXURTCKPRDQ-UHFFFAOYSA-N

Data  7 IC50  2 Kd  5 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50459091   

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50459091(ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...)
Affinity DataIC50: 3.00E+4nMAssay Description:Displacement of [3H]dofetilide from human ERG by high throughput assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50459091(ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50459091(ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50459091(ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...)
Affinity DataKd:  0.5nMAssay Description:Binding affinity to ABL1 (64 to 515 residues) (unknown origin) expressed in Escherichia coli by ITC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50459091(ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...)
Affinity DataIC50: 2.60E+4nMAssay Description:Inhibition of human ERG by automated patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50459091(ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50459091(ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of ABL1 (64 to 515 residues)(unknown origin) expressed in Escherichia coli using FITC-Ahx-EAIYAAPFAKKK-NH2 peptide as substrate after 60 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
LigandPNGBDBM50459091(ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...)
Affinity DataKd:  0.450nMAssay Description:Binding affinity to BCR-ABL1 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50459091(ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...)
Affinity DataIC50: 16nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
Go to US Patent

TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50459091(ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...)
Affinity DataEC50:  28nMAssay Description:Inhibition of wild type human BCR-ABL1 using Tyr2 peptide as substrate incubated for 1 hrs by FRET based Z-LYTE assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50459091(ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...)
Affinity DataEC50:  0.130nMAssay Description:Inhibition of wild type human BCR-ABL1 using Tyr2 peptide as substrate incubated for 1 hrs in presence of dasatinib by FRET based Z-LYTE assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50459091(ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...)
Affinity DataEC50:  3.90nMAssay Description:Inhibition of wild type human BCR-ABL1 using Tyr2 peptide as substrate incubated for 1 hrs in presence of ponatinib by FRET based Z-LYTE assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50459091(ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...)
Affinity DataEC50:  6.5nMAssay Description:Inhibition of human BCR-ABL1 T315I mutant using Tyr2 peptide as substrate incubated for 1 hrs by FRET based Z-LYTE assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50459091(ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...)
Affinity DataEC50:  7.40nMAssay Description:Inhibition of human BCR-ABL1 T315I mutant using Tyr2 peptide as substrate incubated for 1 hrs in presence of ponatinib by FRET based Z-LYTE assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed