BindingDB logo
myBDB logout

null

SMILES: C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F

InChI Key: InChIKey=XMZYXYKJEUAFLQ-UVARLRKDSA-N

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 9 hits for monomerid = 377199   
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))
BDBM377199
PNG
(3-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:12.13,3.3,1.0,(-.15,3.29,;-1.48,2.52,;-2.82,3.29,;-4.15,2.52,;-5.48,3.29,;-4.15,.98,;-2.82,.21,;-1.48,.98,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;2.52,.21,;3.85,.98,;5.19,.21,;6.52,.98,;5.19,-1.33,;3.85,-2.1,;3.85,-3.64,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H27F3N6O2/c1-12-7-13(30)11-35(10-12)25-14-5-6-20(36)22(14)32-9-19(25)33-26(37)24-18(31)8-17(29)23(34-24)21-15(27)3-2-4-16(21)28/h2-4,8-9,12-13,20,36H,5-7,10-11,30-31H2,1H3,(H,33,37)/t12-,13+,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377199
PNG
(3-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:12.13,3.3,1.0,(-.15,3.29,;-1.48,2.52,;-2.82,3.29,;-4.15,2.52,;-5.48,3.29,;-4.15,.98,;-2.82,.21,;-1.48,.98,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;2.52,.21,;3.85,.98,;5.19,.21,;6.52,.98,;5.19,-1.33,;3.85,-2.1,;3.85,-3.64,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H27F3N6O2/c1-12-7-13(30)11-35(10-12)25-14-5-6-20(36)22(14)32-9-19(25)33-26(37)24-18(31)8-17(29)23(34-24)21-15(27)3-2-4-16(21)28/h2-4,8-9,12-13,20,36H,5-7,10-11,30-31H2,1H3,(H,33,37)/t12-,13+,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377199
PNG
(3-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:12.13,3.3,1.0,(-.15,3.29,;-1.48,2.52,;-2.82,3.29,;-4.15,2.52,;-5.48,3.29,;-4.15,.98,;-2.82,.21,;-1.48,.98,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;2.52,.21,;3.85,.98,;5.19,.21,;6.52,.98,;5.19,-1.33,;3.85,-2.1,;3.85,-3.64,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H27F3N6O2/c1-12-7-13(30)11-35(10-12)25-14-5-6-20(36)22(14)32-9-19(25)33-26(37)24-18(31)8-17(29)23(34-24)21-15(27)3-2-4-16(21)28/h2-4,8-9,12-13,20,36H,5-7,10-11,30-31H2,1H3,(H,33,37)/t12-,13+,20+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay b...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2FJ2K39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377199
PNG
(3-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:12.13,3.3,1.0,(-.15,3.29,;-1.48,2.52,;-2.82,3.29,;-4.15,2.52,;-5.48,3.29,;-4.15,.98,;-2.82,.21,;-1.48,.98,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;2.52,.21,;3.85,.98,;5.19,.21,;6.52,.98,;5.19,-1.33,;3.85,-2.1,;3.85,-3.64,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H27F3N6O2/c1-12-7-13(30)11-35(10-12)25-14-5-6-20(36)22(14)32-9-19(25)33-26(37)24-18(31)8-17(29)23(34-24)21-15(27)3-2-4-16(21)28/h2-4,8-9,12-13,20,36H,5-7,10-11,30-31H2,1H3,(H,33,37)/t12-,13+,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377199
PNG
(3-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:12.13,3.3,1.0,(-.15,3.29,;-1.48,2.52,;-2.82,3.29,;-4.15,2.52,;-5.48,3.29,;-4.15,.98,;-2.82,.21,;-1.48,.98,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;2.52,.21,;3.85,.98,;5.19,.21,;6.52,.98,;5.19,-1.33,;3.85,-2.1,;3.85,-3.64,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H27F3N6O2/c1-12-7-13(30)11-35(10-12)25-14-5-6-20(36)22(14)32-9-19(25)33-26(37)24-18(31)8-17(29)23(34-24)21-15(27)3-2-4-16(21)28/h2-4,8-9,12-13,20,36H,5-7,10-11,30-31H2,1H3,(H,33,37)/t12-,13+,20+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2GB2776
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM377199
PNG
(3-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:12.13,3.3,1.0,(-.15,3.29,;-1.48,2.52,;-2.82,3.29,;-4.15,2.52,;-5.48,3.29,;-4.15,.98,;-2.82,.21,;-1.48,.98,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;2.52,.21,;3.85,.98,;5.19,.21,;6.52,.98,;5.19,-1.33,;3.85,-2.1,;3.85,-3.64,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H27F3N6O2/c1-12-7-13(30)11-35(10-12)25-14-5-6-20(36)22(14)32-9-19(25)33-26(37)24-18(31)8-17(29)23(34-24)21-15(27)3-2-4-16(21)28/h2-4,8-9,12-13,20,36H,5-7,10-11,30-31H2,1H3,(H,33,37)/t12-,13+,20+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-1 and Pim-3 kinase assays-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM377199
PNG
(3-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:12.13,3.3,1.0,(-.15,3.29,;-1.48,2.52,;-2.82,3.29,;-4.15,2.52,;-5.48,3.29,;-4.15,.98,;-2.82,.21,;-1.48,.98,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;2.52,.21,;3.85,.98,;5.19,.21,;6.52,.98,;5.19,-1.33,;3.85,-2.1,;3.85,-3.64,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H27F3N6O2/c1-12-7-13(30)11-35(10-12)25-14-5-6-20(36)22(14)32-9-19(25)33-26(37)24-18(31)8-17(29)23(34-24)21-15(27)3-2-4-16(21)28/h2-4,8-9,12-13,20,36H,5-7,10-11,30-31H2,1H3,(H,33,37)/t12-,13+,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2GB2776
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377199
PNG
(3-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:12.13,3.3,1.0,(-.15,3.29,;-1.48,2.52,;-2.82,3.29,;-4.15,2.52,;-5.48,3.29,;-4.15,.98,;-2.82,.21,;-1.48,.98,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;2.52,.21,;3.85,.98,;5.19,.21,;6.52,.98,;5.19,-1.33,;3.85,-2.1,;3.85,-3.64,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H27F3N6O2/c1-12-7-13(30)11-35(10-12)25-14-5-6-20(36)22(14)32-9-19(25)33-26(37)24-18(31)8-17(29)23(34-24)21-15(27)3-2-4-16(21)28/h2-4,8-9,12-13,20,36H,5-7,10-11,30-31H2,1H3,(H,33,37)/t12-,13+,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2GB2776
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM377199
PNG
(3-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-...)
Show SMILES C[C@@H]1C[C@H](N)CN(C1)c1c2CC[C@H](O)c2ncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:12.13,3.3,1.0,(-.15,3.29,;-1.48,2.52,;-2.82,3.29,;-4.15,2.52,;-5.48,3.29,;-4.15,.98,;-2.82,.21,;-1.48,.98,;-2.82,-1.33,;-4.15,-2.1,;-5.61,-1.62,;-6.52,-2.87,;-5.61,-4.11,;-6.01,-5.6,;-4.15,-3.64,;-2.82,-4.41,;-1.48,-3.64,;-1.48,-2.1,;-.15,-1.33,;1.18,-2.1,;1.18,-3.64,;2.52,-1.33,;2.52,.21,;3.85,.98,;5.19,.21,;6.52,.98,;5.19,-1.33,;3.85,-2.1,;3.85,-3.64,;3.85,2.52,;2.52,3.29,;1.18,2.52,;2.52,4.83,;3.85,5.6,;5.19,4.83,;5.19,3.29,;6.52,2.52,)|
Show InChI InChI=1S/C26H27F3N6O2/c1-12-7-13(30)11-35(10-12)25-14-5-6-20(36)22(14)32-9-19(25)33-26(37)24-18(31)8-17(29)23(34-24)21-15(27)3-2-4-16(21)28/h2-4,8-9,12-13,20,36H,5-7,10-11,30-31H2,1H3,(H,33,37)/t12-,13+,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Pim-2 kinase assay-20 μL reactions were run in white 384 well polystyrene plates dotted with 0.8 μL compound/DMSO in the assay buffer (50 m...


US Patent US10517858 (2019)


BindingDB Entry DOI: 10.7270/Q2XD1422
More data for this
Ligand-Target Pair