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

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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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(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of aurora A (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of Aurora AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2012
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of AURAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  0.600nMAssay Description:In vitro inhibition constant for Aurora-AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
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
In Depth
Date in BDB:
2/5/2007
Entry Details Article
PubMed
TargetAurora kinase A-interacting protein(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of Aurora AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of Aurora A kinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetAurora kinase A(Mouse)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataIC50: 0.600nMpH: 7.5 T: 2°CAssay Description:The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/13/2007
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of aurora AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of aurora A kinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataIC50: 0.700nMAssay Description:Inhibition of human recombinant His-tagged Aurora A kinase expressed in insect cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2011
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataIC50: 1.40nMpH: 7.0 T: 2°CAssay Description:Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2009
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  1.80nMAssay Description:Competitive inhibition of Aurora B ATP binding siteMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2012
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  1.80nMAssay Description:Inhibition of Aurora-B by time dependent kinetic studyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  1.80nMAssay Description:Inhibition of Aurora B kinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  2nMAssay Description:Inhibition of aurora AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataIC50: 2.80nM Kd:  17nMpH: 7.4 T: 2°CAssay Description:The formation of ADP from ATP was quantified using a coupled enzyme assay (DiscoverX) in with a fluorescent resorufin dye is generated from the inter...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2012
Entry Details Article
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  3nMAssay 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
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  3.10nMAssay 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
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  3.30nMAssay 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
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  3.80nMAssay 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
PubMed
TargetAurora kinase A(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  3.90nMAssay Description:Binding constant for AURKA kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetTyrosine-protein kinase ABL2(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  4nMAssay Description:Binding affinity to Abl2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMed
TargetTyrosine-protein kinase ABL2(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  4nMAssay Description:Binding constant for ABL2 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/25/2012
Entry Details Article
PubMed
TargetTyrosine-protein kinase ABL2(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  4nMAssay 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
PCBioAssay
TargetAurora kinase A(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  4nMAssay Description:Binding affinity to Aurora A kinase catalytic domain by competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetTyrosine-protein kinase ABL2(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  4nMAssay Description:Binding constant for ABL2 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  4.10nMAssay Description:Binding constant for AURKA kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/25/2012
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  4.10nMpH: 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 Depth
Date in BDB:
8/14/2009
Entry Details
PCBioAssay
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  4.30nMAssay Description:Binding constant for FLT3(N841I) kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/25/2012
Entry Details Article
PubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  4.30nMAssay Description:Binding constant for FLT3(N841I) kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  4.30nMpH: 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 Depth
Date in BDB:
8/14/2009
Entry Details
PCBioAssay
TargetAurora kinase C(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  4.60nMAssay Description:In vitro inhibition constant for Aurora-CMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
TargetAurora kinase C(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of Aurora CMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetAurora kinase C(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  4.60nMAssay Description:Competitive inhibition of Aurora C ATP binding siteMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2012
Entry Details Article
PubMed
TargetAurora kinase C(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of AURCMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetAurora kinase C(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of Aurora C kinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetAurora kinase C(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
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
In Depth
Date in BDB:
2/5/2007
Entry Details Article
PubMed
TargetAurora kinase C(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of aurora C kinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMed
TargetAurora kinase C(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of aurora C (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetAurora kinase C(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of aurora CMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  4.80nMAssay Description:Binding constant for FLT3(K663Q) kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  5nMAssay 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
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  5.30nMAssay 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
PubMed
TargetAurora kinase A(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataIC50: 5.60nMAssay Description:In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2012
Entry Details Article
PubMed
TargetAurora kinase C(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  6nMAssay Description:Binding affinity to Aurora C kinase catalytic domain by competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataIC50: 6nMpH: 7.5 T: 2°CAssay Description:Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/30/2008
Entry Details Article
PubMed
TargetAurora kinase C(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  6.30nMAssay Description:Binding constant for AURKC kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetTyrosine-protein kinase ABL1 [T315I](Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13534(VX680 | N-[4-[[4-(4-methylpiperazino)-6-[(5-methyl...)
Affinity DataKd:  6.30nMpH: 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 Depth
Date in BDB:
8/14/2009
Entry Details
PCBioAssay
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