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SMILES: CC(C)Oc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1

InChI Key: InChIKey=HIQBGIUTDZYFOT-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 = 451757   
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))
BDBM451757
PNG
(N-(4-(6-amino-5-(1-oxo- 1,2,3,4-tetrahydroisoquino...)
Show SMILES CC(C)Oc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1
Show InChI InChI=1S/C26H28N4O4S/c1-15(2)34-24-13-19(30-35(32,33)20-5-6-20)4-8-21(24)18-12-23(25(27)29-14-18)16-3-7-22-17(11-16)9-10-28-26(22)31/h3-4,7-8,11-15,20,30H,5-6,9-10H2,1-2H3,(H2,27,29)(H,28,31)
PDB

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antibodypedia
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PC sid
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)

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


(Homo sapiens (Human))
BDBM451757
PNG
(N-(4-(6-amino-5-(1-oxo- 1,2,3,4-tetrahydroisoquino...)
Show SMILES CC(C)Oc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1
Show InChI InChI=1S/C26H28N4O4S/c1-15(2)34-24-13-19(30-35(32,33)20-5-6-20)4-8-21(24)18-12-23(25(27)29-14-18)16-3-7-22-17(11-16)9-10-28-26(22)31/h3-4,7-8,11-15,20,30H,5-6,9-10H2,1-2H3,(H2,27,29)(H,28,31)
PDB
MMDB

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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))
BDBM451757
PNG
(N-(4-(6-amino-5-(1-oxo- 1,2,3,4-tetrahydroisoquino...)
Show SMILES CC(C)Oc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1
Show InChI InChI=1S/C26H28N4O4S/c1-15(2)34-24-13-19(30-35(32,33)20-5-6-20)4-8-21(24)18-12-23(25(27)29-14-18)16-3-7-22-17(11-16)9-10-28-26(22)31/h3-4,7-8,11-15,20,30H,5-6,9-10H2,1-2H3,(H2,27,29)(H,28,31)
PDB
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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))
BDBM451757
PNG
(N-(4-(6-amino-5-(1-oxo- 1,2,3,4-tetrahydroisoquino...)
Show SMILES CC(C)Oc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1
Show InChI InChI=1S/C26H28N4O4S/c1-15(2)34-24-13-19(30-35(32,33)20-5-6-20)4-8-21(24)18-12-23(25(27)29-14-18)16-3-7-22-17(11-16)9-10-28-26(22)31/h3-4,7-8,11-15,20,30H,5-6,9-10H2,1-2H3,(H2,27,29)(H,28,31)
PDB
MMDB

Reactome pathway
KEGG

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