BDBM50460772 CHEMBL4225923

SMILES Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1

InChI Key InChIKey=QTTGVGLTCILDCA-UHFFFAOYSA-N

Data  26 IC50  2 Kd  3 EC50

  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 31 hits for monomerid = 50460772   

TargetSerine/threonine-protein kinase PLK3(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of PLK3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetEpidermal growth factor receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
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
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataEC50: <16nMAssay 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
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of JAK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase Chk1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 7nMAssay Description:Inhibition of CHK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 380nMAssay Description:Inhibition of IRAK4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetRho-associated protein kinase 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of ROCK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetHepatocyte growth factor receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of MET (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 beta(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of GSK3b (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
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
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of S6K (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 1.15E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataKd:  0.0100nMAssay Description:Binding affinity to Aurora B (unknown origin) after 45 mins by fluorescence-based thermal stability shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetProtein kinase C alpha type(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of PKCA (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase 3(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of MST2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of IKKB (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetInsulin-like growth factor 1 receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of IGF1R (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetMitogen-activated protein kinase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCasein kinase I isoform delta(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of CSNK1D (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of AKT1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 5nMAssay Description:Inhibition of FLT3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetEphrin type-B receptor 4(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 38nMAssay Description:Inhibition of EPHB4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataEC50: <16nMAssay 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
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataEC50:  50nMAssay 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
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
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
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of CAMK4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetTyrosine-protein kinase Lck(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50460772(CHEMBL4225923)
Affinity DataIC50: 61nMAssay Description:Inhibition of LCK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed