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1 similar compounds to monomer 50368853

Compile data set for download or QSAR
Wt: 418.4
BDBM50043662

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50043662   
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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50043662
PNG
(CHEMBL3355552 | US10047093, 8-56 | US9416132, 8-56)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-29-20(28-19)18(13-26-29)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)/t15-,17-
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US Patent
n/an/a 17n/an/an/an/an/a25



Tolero Pharmaceuticals, Inc.

US Patent


Assay Description
These assays are set up in duplicate 50 ul volumes in white, flat bottom 96 well plates. Inhibitors are added to the solution of 1× kinase buff...


US Patent US9416132 (2016)


BindingDB Entry DOI: 10.7270/Q2CV4GNG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50043662
PNG
(CHEMBL3355552 | US10047093, 8-56 | US9416132, 8-56)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-29-20(28-19)18(13-26-29)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)/t15-,17-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Tolero Pharmaceuticals, Inc.

US Patent


Assay Description
Representative compounds were tested for hERG activity using the Fast Patch assay available from WuXiApptec (Shanghai China).


US Patent US9416132 (2016)


BindingDB Entry DOI: 10.7270/Q2CV4GNG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043662
PNG
(CHEMBL3355552 | US10047093, 8-56 | US9416132, 8-56)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-29-20(28-19)18(13-26-29)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)/t15-,17-
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n/an/a 17n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50043662
PNG
(CHEMBL3355552 | US10047093, 8-56 | US9416132, 8-56)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-29-20(28-19)18(13-26-29)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)/t15-,17-
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n/an/a>3.00E+4n/an/an/an/an/an/a



TOLERO PHARMACEUTICALS, INC.

US Patent


Assay Description
Representative compounds were tested for hERG activity using the Fast Patch assay available from WuXiApptec (Shanghai China).


US Patent US10047093 (2018)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50043662
PNG
(CHEMBL3355552 | US10047093, 8-56 | US9416132, 8-56)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-29-20(28-19)18(13-26-29)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)/t15-,17-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by automated patch clamp method


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50043662
PNG
(CHEMBL3355552 | US10047093, 8-56 | US9416132, 8-56)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-29-20(28-19)18(13-26-29)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)/t15-,17-
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n/an/a 525n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim2 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50043662
PNG
(CHEMBL3355552 | US10047093, 8-56 | US9416132, 8-56)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-29-20(28-19)18(13-26-29)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)/t15-,17-
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 17n/an/an/an/an/a25



TOLERO PHARMACEUTICALS, INC.

US Patent


Assay Description
One illustrative manner in which Pim-1 kinase activity can be determined is by quantifying the amount of ATP remaining in solution after an in vitro ...


US Patent US10047093 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50043662
PNG
(CHEMBL3355552 | US10047093, 8-56 | US9416132, 8-56)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-29-20(28-19)18(13-26-29)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)/t15-,17-
PDB
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KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 271n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Flt3 (unknown origin)


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair