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SMILES: COc1cc(ccc1-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1)S(=O)(=O)NC1CC1

InChI Key: InChIKey=SHVIOCANKWCGPB-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 451739   
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))
BDBM451739
PNG
(4-(6-amino-5-(1-oxo-1,2,3,4- tetrahydroisoquinolin...)
Show SMILES COc1cc(ccc1-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1)S(=O)(=O)NC1CC1
Show InChI InChI=1S/C24H24N4O4S/c1-32-22-12-18(33(30,31)28-17-3-4-17)5-7-19(22)16-11-21(23(25)27-13-16)14-2-6-20-15(10-14)8-9-26-24(20)29/h2,5-7,10-13,17,28H,3-4,8-9H2,1H3,(H2,25,27)(H,26,29)
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antibodypedia
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UniChem
US Patent
n/an/a<40n/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)


BindingDB Entry DOI: 10.7270/Q2J67KZW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 26


(Homo sapiens (Human))
BDBM451739
PNG
(4-(6-amino-5-(1-oxo-1,2,3,4- tetrahydroisoquinolin...)
Show SMILES COc1cc(ccc1-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1)S(=O)(=O)NC1CC1
Show InChI InChI=1S/C24H24N4O4S/c1-32-22-12-18(33(30,31)28-17-3-4-17)5-7-19(22)16-11-21(23(25)27-13-16)14-2-6-20-15(10-14)8-9-26-24(20)29/h2,5-7,10-13,17,28H,3-4,8-9H2,1H3,(H2,25,27)(H,26,29)
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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)


BindingDB Entry DOI: 10.7270/Q2J67KZW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 24


(Homo sapiens (Human))
BDBM451739
PNG
(4-(6-amino-5-(1-oxo-1,2,3,4- tetrahydroisoquinolin...)
Show SMILES COc1cc(ccc1-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1)S(=O)(=O)NC1CC1
Show InChI InChI=1S/C24H24N4O4S/c1-32-22-12-18(33(30,31)28-17-3-4-17)5-7-19(22)16-11-21(23(25)27-13-16)14-2-6-20-15(10-14)8-9-26-24(20)29/h2,5-7,10-13,17,28H,3-4,8-9H2,1H3,(H2,25,27)(H,26,29)
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PC cid
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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)


BindingDB Entry DOI: 10.7270/Q2J67KZW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 3


(Homo sapiens (Human))
BDBM451739
PNG
(4-(6-amino-5-(1-oxo-1,2,3,4- tetrahydroisoquinolin...)
Show SMILES COc1cc(ccc1-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1)S(=O)(=O)NC1CC1
Show InChI InChI=1S/C24H24N4O4S/c1-32-22-12-18(33(30,31)28-17-3-4-17)5-7-19(22)16-11-21(23(25)27-13-16)14-2-6-20-15(10-14)8-9-26-24(20)29/h2,5-7,10-13,17,28H,3-4,8-9H2,1H3,(H2,25,27)(H,26,29)
PDB
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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)


BindingDB Entry DOI: 10.7270/Q2J67KZW
More data for this
Ligand-Target Pair