BDBM50460773 CHEMBL4227082

SMILES Cc1cn2c(cnc2c(Nc2cc(Cc3ccccn3)ns2)n1)-c1cn[nH]c1

InChI Key InChIKey=NNQHKTWARZSGTQ-UHFFFAOYSA-N

Data  28 IC50  2 Kd  1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50460773   

TargetInhibitor of nuclear factor kappa-B kinase subunit beta(Homo sapiens (Human))
Merck

Curated by ChEMBL

LigandBDBM50460773(CHEMBL4227082)Copy SMILESCopy InChI

Affinity DataIC50: >500nMAssay Description:Inhibition of IKKB (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBNCI pathwayReactome pathwayKEGG
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TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >500nMAssay Description:Inhibition of GSK3b (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >500nMAssay Description:Inhibition of JAK2 (unknown origin)More data for this Ligand-Target Pair

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TargetAurora kinase A(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: <4nMAssay Description:Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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TargetAurora kinase A(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataKd:  0.0100nMAssay Description:Binding affinity to Aurora A (unknown origin) after 45 mins by fluorescence-based thermal stability shift assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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TargetAurora kinase B(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataKd:  0.100nMAssay Description:Binding affinity to Aurora B (unknown origin) after 45 mins by fluorescence-based thermal stability shift assayMore data for this Ligand-Target Pair

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TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50:  271nMAssay Description:Inhibition of LCK (unknown origin)More data for this Ligand-Target Pair

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TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >500nMAssay Description:Inhibition of AKT1 (unknown origin)More data for this Ligand-Target Pair

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TargetCalcium/calmodulin-dependent protein kinase type IV(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >500nMAssay Description:Inhibition of CAMK4 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >500nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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TargetCasein kinase I isoform delta(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >500nMAssay Description:Inhibition of CSNK1D (unknown origin)More data for this Ligand-Target Pair

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TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >500nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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TargetInsulin-like growth factor 1 receptor(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >500nMAssay Description:Inhibition of IGF1R (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetHepatocyte growth factor receptor(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >500nMAssay Description:Inhibition of MET (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetSerine/threonine-protein kinase 3(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >500nMAssay Description:Inhibition of MST2 (unknown origin)More data for this Ligand-Target Pair

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TargetProtein kinase C alpha type(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >500nMAssay Description:Inhibition of PKCA (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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TargetRho-associated protein kinase 2(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >500nMAssay Description:Inhibition of ROCK2 (unknown origin)More data for this Ligand-Target Pair

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TargetTestis-specific serine/threonine-protein kinase 2(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >500nMAssay Description:Inhibition of TSSK2 (unknown origin)More data for this Ligand-Target Pair

Target InfoKEGG
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TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomesMore data for this Ligand-Target Pair

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TargetEphrin type-B receptor 4(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50:  390nMAssay Description:Inhibition of EPHB4 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetSerine/threonine-protein kinase Nek2(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >500nMAssay Description:Inhibition of NEK2 (unknown origin)More data for this Ligand-Target Pair

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TargetSerine/threonine-protein kinase PLK3(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >500nMAssay Description:Inhibition of PLK3 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBNCI pathwayReactome pathwayKEGG
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TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair

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TargetCytochrome P450 2C19(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >20nMAssay Description:Inhibition of CYP2C19 in human liver microsomesMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetAurora kinase B(Homo sapiens (Human))
Merck

Curated by ChEMBL

LigandBDBM50460773(CHEMBL4227082)Copy SMILESCopy InChI

Affinity DataEC50:  117nMAssay Description:Inhibition of Aurora B in human HCT116 cells assessed as reduction in phosphorylation of Histone H3 at Ser10 residue incubated for 1 hr by Hoechst 33...More data for this Ligand-Target Pair

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TargetAurora kinase B(Homo sapiens (Human))
Merck

Curated by ChEMBL

LigandBDBM50460773(CHEMBL4227082)Copy SMILESCopy InChI

Affinity DataIC50: <13nMAssay Description:Inhibition of Aurora B (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
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TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50:  360nMAssay Description:Inhibition of CHK1 (unknown origin)More data for this Ligand-Target Pair

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TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50:  14nMAssay Description:Inhibition of FLT3 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBNCI pathwayReactome pathway
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TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomesMore data for this Ligand-Target Pair

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TargetRibosomal protein S6 kinase alpha-3(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50:  260nMAssay Description:Inhibition of RSK2 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetEpidermal growth factor receptor(Homo sapiens (Human))
Merck

Curated by ChEMBL

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Affinity DataIC50: >500nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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Ligand InfoPC cidPC sid

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