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BDBM106857 US8592455, 57

SMILES: C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1ccccc1F

InChI Key: InChIKey=ATNCLUHEGCYVPT-XHSDSOJGSA-N

Data: 3 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 106857   
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))
BDBM106857
PNG
(US8592455, 57)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1ccccc1F |r|
Show InChI InChI=1S/C24H24F2N4O/c1-14-10-15(12-16(27)11-14)17-8-9-28-13-22(17)30-24(31)21-7-6-20(26)23(29-21)18-4-2-3-5-19(18)25/h2-9,13-16H,10-12,27H2,1H3,(H,30,31)/t14-,15+,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay


J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106857
PNG
(US8592455, 57)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1ccccc1F |r|
Show InChI InChI=1S/C24H24F2N4O/c1-14-10-15(12-16(27)11-14)17-8-9-28-13-22(17)30-24(31)21-7-6-20(26)23(29-21)18-4-2-3-5-19(18)25/h2-9,13-16H,10-12,27H2,1H3,(H,30,31)/t14-,15+,16-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
<3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay


J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM106857
PNG
(US8592455, 57)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1ccccc1F |r|
Show InChI InChI=1S/C24H24F2N4O/c1-14-10-15(12-16(27)11-14)17-8-9-28-13-22(17)30-24(31)21-7-6-20(26)23(29-21)18-4-2-3-5-19(18)25/h2-9,13-16H,10-12,27H2,1H3,(H,30,31)/t14-,15+,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM2 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay


J Med Chem 58: 8373-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01275
BindingDB Entry DOI: 10.7270/Q2H41VGN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM106857
PNG
(US8592455, 57)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1ccccc1F |r|
Show InChI InChI=1S/C24H24F2N4O/c1-14-10-15(12-16(27)11-14)17-8-9-28-13-22(17)30-24(31)21-7-6-20(26)23(29-21)18-4-2-3-5-19(18)25/h2-9,13-16H,10-12,27H2,1H3,(H,30,31)/t14-,15+,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106857
PNG
(US8592455, 57)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1ccccc1F |r|
Show InChI InChI=1S/C24H24F2N4O/c1-14-10-15(12-16(27)11-14)17-8-9-28-13-22(17)30-24(31)21-7-6-20(26)23(29-21)18-4-2-3-5-19(18)25/h2-9,13-16H,10-12,27H2,1H3,(H,30,31)/t14-,15+,16-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM106857
PNG
(US8592455, 57)
Show SMILES C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1ccccc1F |r|
Show InChI InChI=1S/C24H24F2N4O/c1-14-10-15(12-16(27)11-14)17-8-9-28-13-22(17)30-24(31)21-7-6-20(26)23(29-21)18-4-2-3-5-19(18)25/h2-9,13-16H,10-12,27H2,1H3,(H,30,31)/t14-,15+,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from ki...


US Patent US8592455 (2013)


BindingDB Entry DOI: 10.7270/Q2FF3R0C
More data for this
Ligand-Target Pair