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SMILES: Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1cc(cnc1F)[N+]([O-])=O

InChI Key: InChIKey=DQAFQEGGRBEJNZ-UHFFFAOYSA-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 4 hits for monomerid = 451733   
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 4


(Homo sapiens (Human))
BDBM451733
PNG
(6-(6-amino-2'-fluoro-5'-nitro- [3,3'-bipyridin]-5-...)
Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1cc(cnc1F)[N+]([O-])=O
Show InChI InChI=1S/C19H14FN5O3/c20-17-15(7-13(9-23-17)25(27)28)12-6-16(18(21)24-8-12)10-1-2-14-11(5-10)3-4-22-19(14)26/h1-2,5-9H,3-4H2,(H2,21,24)(H,22,26)
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n/an/a 550n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.; FONDAZIONE CENTRO SAN RAFFAELE

US Patent


Assay Description
Biochemical IC50s were measured at Invitrogen using Z-lyte technology. Briefly, for STK4, the 2×STK4 (MST1)/Ser/Thr 07 mixture was prepared in 50 mM ...


US Patent US10710978 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 26


(Homo sapiens (Human))
BDBM451733
PNG
(6-(6-amino-2'-fluoro-5'-nitro- [3,3'-bipyridin]-5-...)
Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1cc(cnc1F)[N+]([O-])=O
Show InChI InChI=1S/C19H14FN5O3/c20-17-15(7-13(9-23-17)25(27)28)12-6-16(18(21)24-8-12)10-1-2-14-11(5-10)3-4-22-19(14)26/h1-2,5-9H,3-4H2,(H2,21,24)(H,22,26)
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PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.; FONDAZIONE CENTRO SAN RAFFAELE

US Patent


Assay Description
Biochemical IC50s were measured at Invitrogen using Z-lyte technology. Briefly, for STK4, the 2×STK4 (MST1)/Ser/Thr 07 mixture was prepared in 50 mM ...


US Patent US10710978 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 24


(Homo sapiens (Human))
BDBM451733
PNG
(6-(6-amino-2'-fluoro-5'-nitro- [3,3'-bipyridin]-5-...)
Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1cc(cnc1F)[N+]([O-])=O
Show InChI InChI=1S/C19H14FN5O3/c20-17-15(7-13(9-23-17)25(27)28)12-6-16(18(21)24-8-12)10-1-2-14-11(5-10)3-4-22-19(14)26/h1-2,5-9H,3-4H2,(H2,21,24)(H,22,26)
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.; FONDAZIONE CENTRO SAN RAFFAELE

US Patent


Assay Description
Biochemical IC50s were measured at Invitrogen using Z-lyte technology. Briefly, for STK4, the 2×STK4 (MST1)/Ser/Thr 07 mixture was prepared in 50 mM ...


US Patent US10710978 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM451733
PNG
(6-(6-amino-2'-fluoro-5'-nitro- [3,3'-bipyridin]-5-...)
Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1cc(cnc1F)[N+]([O-])=O
Show InChI InChI=1S/C19H14FN5O3/c20-17-15(7-13(9-23-17)25(27)28)12-6-16(18(21)24-8-12)10-1-2-14-11(5-10)3-4-22-19(14)26/h1-2,5-9H,3-4H2,(H2,21,24)(H,22,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.; FONDAZIONE CENTRO SAN RAFFAELE

US Patent


Assay Description
Biochemical IC50s were measured at Invitrogen using Z-lyte technology. Briefly, for STK4, the 2×STK4 (MST1)/Ser/Thr 07 mixture was prepared in 50 mM ...


US Patent US10710978 (2020)

More data for this
Ligand-Target Pair