null

SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

InChI Key InChIKey=GCIKSSRWRFVXBI-UHFFFAOYSA-N

PDB links: 11 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 13534   

TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKi:  30nMAssay Description:Inhibition of AblChecked by AuthorMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKi:  42nMAssay Description:Inhibition of Abl T315I mutantChecked by AuthorMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  45nMAssay 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
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  9.10nMAssay 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
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  9.40nMAssay 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
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  23nMAssay 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
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  13nMAssay 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
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataIC50: 160nMpH: 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
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataIC50: 320nMAssay Description:In vitro kinase assay using human aurora kinase in a standard radiometric assay.More data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataIC50: 420nMAssay Description:In vitro kinase assay using human aurora kinase in a standard radiometric assay.More data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataIC50: 420nMAssay Description:In vitro kinase assay using human aurora kinase in a standard radiometric assay.More data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  9.30nMAssay Description:Binding constant for ABL1(T315I)-phosphorylated kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  3.10nMAssay Description:Binding constant for ABL1(H396P)-phosphorylated kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  3nMAssay Description:Binding constant for ABL1(E255K)-phosphorylated kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  3.80nMAssay Description:Binding constant for ABL1(Q252H)-nonphosphorylated kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  7.5nMAssay Description:Binding constant for ABL1-phosphorylated kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  3.30nMAssay Description:Binding constant for ABL1(H396P)-nonphosphorylated kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  7.20E+3nMAssay Description:Binding constant for ABL1(F317I)-nonphosphorylated kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  9.70nMAssay Description:Binding constant for ABL1(T315I)-nonphosphorylated kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  5.30nMAssay Description:Binding constant for ABL1(M351T)-phosphorylated kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  7.80nMAssay Description:Binding constant for ABL1(Y253F)-phosphorylated kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  480nMAssay Description:Binding constant for ABL1(F317L)-nonphosphorylated kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  13nMAssay Description:Binding constant for ABL1-nonphosphorylated kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  2.10E+3nMAssay Description:Binding constant for ABL1(F317I)-phosphorylated kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  9.40nMAssay Description:Binding constant for ABL1(Q252H)-phosphorylated kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  6.30nMAssay Description:Binding constant for ABL1(T315I) kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  17nMAssay Description:Binding constant for ABL1(Q252H) kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  23nMAssay Description:Binding constant for ABL1(Y253F) kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  45nMAssay Description:Binding constant for ABL1(E255K) kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  13nMAssay Description:Binding constant for ABL1 kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  9.40nMAssay Description:Binding constant for ABL1(M351T) kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  400nMAssay Description:Binding constant for ABL1(F317L)-phosphorylated kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)copy SMILEScopy InChI
Affinity DataKd:  9.10nMAssay Description:Binding constant for ABL1(T315I) kinase domainMore data for this Ligand-Target Pair