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BDBM50389967 Aminopyrimidine (Scaffold VI)::CHEMBL1614709

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc(F)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cc1C

InChI Key: InChIKey=KSOVGRCOLZZTPF-QMKUDKLTSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50389967   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM50389967
PNG
(Aminopyrimidine (Scaffold VI) | CHEMBL1614709)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cc1C
Show InChI InChI=1S/C24H30FN7O/c1-14-11-17(5-6-19(14)32-9-7-31(2)8-10-32)28-24-27-13-18(25)23(30-24)29-21-16-4-3-15(12-16)20(21)22(26)33/h3-6,11,13,15-16,20-21H,7-10,12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)/t15-,16+,20+,21-/m1/s1
PDB

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UniProtKB/SwissProt

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PC sid
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n/an/a 140n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...


ACS Chem Biol 10: 289-98 (2015)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50389967
PNG
(Aminopyrimidine (Scaffold VI) | CHEMBL1614709)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cc1C
Show InChI InChI=1S/C24H30FN7O/c1-14-11-17(5-6-19(14)32-9-7-31(2)8-10-32)28-24-27-13-18(25)23(30-24)29-21-16-4-3-15(12-16)20(21)22(26)33/h3-6,11,13,15-16,20-21H,7-10,12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)/t15-,16+,20+,21-/m1/s1
PDB
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PC sid
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n/an/a 95n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50389967
PNG
(Aminopyrimidine (Scaffold VI) | CHEMBL1614709)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cc1C
Show InChI InChI=1S/C24H30FN7O/c1-14-11-17(5-6-19(14)32-9-7-31(2)8-10-32)28-24-27-13-18(25)23(30-24)29-21-16-4-3-15(12-16)20(21)22(26)33/h3-6,11,13,15-16,20-21H,7-10,12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)/t15-,16+,20+,21-/m1/s1
PDB
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n/an/a 19n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells


Bioorg Med Chem Lett 22: 4750-5 (2012)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50389967
PNG
(Aminopyrimidine (Scaffold VI) | CHEMBL1614709)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cc1C
Show InChI InChI=1S/C24H30FN7O/c1-14-11-17(5-6-19(14)32-9-7-31(2)8-10-32)28-24-27-13-18(25)23(30-24)29-21-16-4-3-15(12-16)20(21)22(26)33/h3-6,11,13,15-16,20-21H,7-10,12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)/t15-,16+,20+,21-/m1/s1
PDB

Reactome pathway
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B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4750-5 (2012)

More data for this
Ligand-Target Pair