BindingDB logo
myBDB logout

null

SMILES: N[C@H]1CCC[C@H](C1)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F

InChI Key: InChIKey=IUBIAVFVWYAABB-OLZOCXBDSA-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 3 hits for monomerid = 106900   
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-3


(Homo sapiens (Human))
BDBM106900
PNG
(US8592455, 100)
Show SMILES N[C@H]1CCC[C@H](C1)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wD:5.7,1.0,(-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-4,-.38,;-2.67,.38,;-4,-1.93,;-5.33,-2.69,;-5.33,-4.23,;-4,-5,;-2.67,-4.23,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-1.93,;1.33,-.38,;2.67,.38,;4,-.38,;5.33,.38,;4,-1.93,;2.67,-2.69,;2.67,-4.23,;2.67,1.93,;4,2.69,;5.33,1.93,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;,1.93,)|
Show InChI InChI=1S/C23H22F3N5O/c24-15-5-2-6-16(25)20(15)21-17(26)10-18(28)22(31-21)23(32)30-19-11-29-8-7-14(19)12-3-1-4-13(27)9-12/h2,5-8,10-13H,1,3-4,9,27-28H2,(H,30,32)/t12-,13+/m1/s1
KEGG

UniProtKB/SwissProt

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-2


(Homo sapiens (Human))
BDBM106900
PNG
(US8592455, 100)
Show SMILES N[C@H]1CCC[C@H](C1)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wD:5.7,1.0,(-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-4,-.38,;-2.67,.38,;-4,-1.93,;-5.33,-2.69,;-5.33,-4.23,;-4,-5,;-2.67,-4.23,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-1.93,;1.33,-.38,;2.67,.38,;4,-.38,;5.33,.38,;4,-1.93,;2.67,-2.69,;2.67,-4.23,;2.67,1.93,;4,2.69,;5.33,1.93,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;,1.93,)|
Show InChI InChI=1S/C23H22F3N5O/c24-15-5-2-6-16(25)20(15)21-17(26)10-18(28)22(31-21)23(32)30-19-11-29-8-7-14(19)12-3-1-4-13(27)9-12/h2,5-8,10-13H,1,3-4,9,27-28H2,(H,30,32)/t12-,13+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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-1


(Homo sapiens (Human))
BDBM106900
PNG
(US8592455, 100)
Show SMILES N[C@H]1CCC[C@H](C1)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wD:5.7,1.0,(-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-4,-.38,;-2.67,.38,;-4,-1.93,;-5.33,-2.69,;-5.33,-4.23,;-4,-5,;-2.67,-4.23,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-1.93,;1.33,-.38,;2.67,.38,;4,-.38,;5.33,.38,;4,-1.93,;2.67,-2.69,;2.67,-4.23,;2.67,1.93,;4,2.69,;5.33,1.93,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;,1.93,)|
Show InChI InChI=1S/C23H22F3N5O/c24-15-5-2-6-16(25)20(15)21-17(26)10-18(28)22(31-21)23(32)30-19-11-29-8-7-14(19)12-3-1-4-13(27)9-12/h2,5-8,10-13H,1,3-4,9,27-28H2,(H,30,32)/t12-,13+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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