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BDBM451713 6-(2-amino-5-(2- fluorophenyl)pyridin-3-yl)- 3,4-dihydroisoquinolin-1(2H)- one::US10710978, Compound I-3

SMILES: Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1ccccc1F

InChI Key: InChIKey=OCEPNKAAQDQEON-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 451713   
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 (STK4)


(Homo sapiens (Human))
BDBM451713
PNG
(6-(2-amino-5-(2- fluorophenyl)pyridin-3-yl)- 3,4-d...)
Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1ccccc1F
Show InChI InChI=1S/C20H16FN3O/c21-18-4-2-1-3-15(18)14-10-17(19(22)24-11-14)12-5-6-16-13(9-12)7-8-23-20(16)25/h1-6,9-11H,7-8H2,(H2,22,24)(H,23,25)
PDB

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UniChem
US Patent
n/an/a 120n/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 MST4


(Homo sapiens (Human))
BDBM451713
PNG
(6-(2-amino-5-(2- fluorophenyl)pyridin-3-yl)- 3,4-d...)
Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1ccccc1F
Show InChI InChI=1S/C20H16FN3O/c21-18-4-2-1-3-15(18)14-10-17(19(22)24-11-14)12-5-6-16-13(9-12)7-8-23-20(16)25/h1-6,9-11H,7-8H2,(H2,22,24)(H,23,25)
PDB
MMDB

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antibodypedia
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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))
BDBM451713
PNG
(6-(2-amino-5-(2- fluorophenyl)pyridin-3-yl)- 3,4-d...)
Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1ccccc1F
Show InChI InChI=1S/C20H16FN3O/c21-18-4-2-1-3-15(18)14-10-17(19(22)24-11-14)12-5-6-16-13(9-12)7-8-23-20(16)25/h1-6,9-11H,7-8H2,(H2,22,24)(H,23,25)
PDB
MMDB

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a>900n/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 MST2


(Homo sapiens (Human))
BDBM451713
PNG
(6-(2-amino-5-(2- fluorophenyl)pyridin-3-yl)- 3,4-d...)
Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1ccccc1F
Show InChI InChI=1S/C20H16FN3O/c21-18-4-2-1-3-15(18)14-10-17(19(22)24-11-14)12-5-6-16-13(9-12)7-8-23-20(16)25/h1-6,9-11H,7-8H2,(H2,22,24)(H,23,25)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt
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B.MOAD
antibodypedia
GoogleScholar
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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