BDBM13534 CHEMBL572878::N-[4-({4-[(3-methyl-1H-pyrazol-5-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl}sulfanyl)phenyl]cyclopropanecarboxamide::N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide::VX-680::VX680::cyclopropane carboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-2ylsulphanyl]-phenyl}-amide

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

InChI Key InChIKey=GCIKSSRWRFVXBI-UHFFFAOYSA-N

Data  54 KI  46 IC50  927 Kd

PDB links: 11 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1026 hits for monomerid = 13534   

TargetAurora kinase A(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of AURAMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of aurora AMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  0.600nM ΔG°:  -12.4kcal/molepH: 7.5 T: 2°CAssay Description:The kinase activity was determined by incubation of enzyme and its substrate, and test compound, in the presence ATP/[gamma-32P] ATP. After incubatio...More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  0.600nMAssay Description:In vitro inhibition constant for Aurora-AMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of Aurora A kinaseMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of aurora A (unknown origin)More data for this Ligand-Target Pair
TargetAurora kinase A-interacting protein(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of Aurora AMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAurora kinase A(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of Aurora AMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of aurora A kinaseChecked by AuthorMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  1.80nMAssay Description:Competitive inhibition of Aurora B ATP binding siteMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  1.80nMAssay Description:Inhibition of Aurora B kinaseMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  1.80nMAssay Description:Inhibition of Aurora-B by time dependent kinetic studyMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  2nMAssay Description:Inhibition of aurora AMore data for this Ligand-Target Pair
TargetAurora kinase C(Homo sapiens (Human))
Mitsubishi Tanabe Pharma

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of aurora CMore data for this Ligand-Target Pair
TargetAurora kinase C(Homo sapiens (Human))
Mitsubishi Tanabe Pharma

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  4.60nMAssay Description:Competitive inhibition of Aurora C ATP binding siteMore data for this Ligand-Target Pair
TargetAurora kinase C(Homo sapiens (Human))
Mitsubishi Tanabe Pharma

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of aurora C kinaseChecked by AuthorMore data for this Ligand-Target Pair
TargetAurora kinase C(Homo sapiens (Human))
Mitsubishi Tanabe Pharma

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  4.60nMAssay Description:In vitro inhibition constant for Aurora-CMore data for this Ligand-Target Pair
TargetAurora kinase C(Homo sapiens (Human))
Mitsubishi Tanabe Pharma

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of Aurora CMore data for this Ligand-Target Pair
TargetAurora kinase C(Homo sapiens (Human))
Mitsubishi Tanabe Pharma

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  4.60nM ΔG°:  -11.3kcal/molepH: 7.5 T: 2°CAssay Description:The kinase activity was determined by incubation of enzyme and its substrate, and test compound, in the presence ATP/[gamma-32P] ATP. After incubatio...More data for this Ligand-Target Pair
TargetAurora kinase C(Homo sapiens (Human))
Mitsubishi Tanabe Pharma

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of Aurora C kinaseMore data for this Ligand-Target Pair
TargetAurora kinase C(Homo sapiens (Human))
Mitsubishi Tanabe Pharma

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of AURCMore data for this Ligand-Target Pair
TargetAurora kinase C(Homo sapiens (Human))
Mitsubishi Tanabe Pharma

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of aurora C (unknown origin)More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK4(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  11nMAssay Description:Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase PLK4(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  11nMAssay Description:Inhibition of human PLK4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAurora kinase B(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  18nMAssay Description:Inhibition of Aurora BMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  18nMAssay Description:Inhibition of aurora BMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  18nMAssay Description:Inhibition of Aurora-BMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  18nMAssay Description:Inhibition of AURBMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  18nM ΔG°:  -10.5kcal/molepH: 7.5 T: 2°CAssay Description:The kinase activity was determined by incubation of enzyme and its substrate, and test compound, in the presence ATP/[gamma-32P] ATP. After incubatio...More data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  18nMAssay Description:In vitro inhibition constant for Aurora-BMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  18nMAssay Description:Inhibition of aurora B kinaseChecked by AuthorMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  18nMAssay Description:Inhibition of aurora B (unknown origin)More data for this Ligand-Target Pair
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Mitsubishi Tanabe Pharma

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  30nMAssay Description:Inhibition of Flt3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Mitsubishi Tanabe Pharma

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  30nMAssay Description:Binding affinity to human FLT3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  30nM ΔG°:  -10.2kcal/molepH: 7.5 T: 2°CAssay Description:The kinase activity was determined by incubation of enzyme and its substrate, and test compound, in the presence ATP/[gamma-32P] ATP. After incubatio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Mitsubishi Tanabe Pharma

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  30nMAssay Description:In vitro inhibition constant for FLT-3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  30nMAssay Description:Inhibition of AblChecked by AuthorMore data for this Ligand-Target Pair
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Mitsubishi Tanabe Pharma

Curated by ChEMBL
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  30nMAssay Description:Inhibition of Flt3Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals

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

LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  80nM ΔG°:  -9.58kcal/molepH: 7.5 T: 2°CAssay Description:The kinase activity was determined by incubation of enzyme and its substrate, and test compound, in the presence ATP/[gamma-32P] ATP. After incubatio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  80nMAssay Description:Inhibition of LckChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  350nM ΔG°:  -8.71kcal/molepH: 7.5 T: 2°CAssay Description:The kinase activity was determined by incubation of enzyme and its substrate, and test compound, in the presence ATP/[gamma-32P] ATP. After incubatio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase PLK2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi: >2.00E+4nMAssay Description:Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase PLK3(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi: >2.00E+4nMAssay Description:Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi: >2.00E+4nM ΔG°: >-6.34kcal/molepH: 7.5 T: 2°CAssay Description:Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  1.90E+5nMAssay 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 DepthDetails PCBioAssay
TargetMast/stem cell growth factor receptor Kit(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  2.40E+5nMAssay 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 DepthDetails PCBioAssay
TargetMast/stem cell growth factor receptor Kit(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  2.40E+5nM ΔG°:  -4.93kcal/molepH: 7.4 T: 2°CAssay 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 DepthDetails PCBioAssay
TargetMast/stem cell growth factor receptor Kit(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Affinity DataKi:  2.90E+5nM ΔG°:  -4.82kcal/molepH: 7.4 T: 2°CAssay 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 DepthDetails PCBioAssay
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