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SMILES: CN(C1CC1)S(=O)(=O)c1ccc(c(F)c1)-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1

InChI Key: InChIKey=ZIWIEQPIZZSHBG-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 3 hits for monomerid = 451730   
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))
BDBM451730
PNG
(4-(6-amino-5-(1-oxo-1,2,3,4- tetrahydroisoquinolin...)
Show SMILES CN(C1CC1)S(=O)(=O)c1ccc(c(F)c1)-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1
Show InChI InChI=1S/C24H23FN4O3S/c1-29(17-3-4-17)33(31,32)18-5-7-19(22(25)12-18)16-11-21(23(26)28-13-16)14-2-6-20-15(10-14)8-9-27-24(20)30/h2,5-7,10-13,17H,3-4,8-9H2,1H3,(H2,26,28)(H,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
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 24


(Homo sapiens (Human))
BDBM451730
PNG
(4-(6-amino-5-(1-oxo-1,2,3,4- tetrahydroisoquinolin...)
Show SMILES CN(C1CC1)S(=O)(=O)c1ccc(c(F)c1)-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1
Show InChI InChI=1S/C24H23FN4O3S/c1-29(17-3-4-17)33(31,32)18-5-7-19(22(25)12-18)16-11-21(23(26)28-13-16)14-2-6-20-15(10-14)8-9-27-24(20)30/h2,5-7,10-13,17H,3-4,8-9H2,1H3,(H2,26,28)(H,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
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 3


(Homo sapiens (Human))
BDBM451730
PNG
(4-(6-amino-5-(1-oxo-1,2,3,4- tetrahydroisoquinolin...)
Show SMILES CN(C1CC1)S(=O)(=O)c1ccc(c(F)c1)-c1cnc(N)c(c1)-c1ccc2C(=O)NCCc2c1
Show InChI InChI=1S/C24H23FN4O3S/c1-29(17-3-4-17)33(31,32)18-5-7-19(22(25)12-18)16-11-21(23(26)28-13-16)14-2-6-20-15(10-14)8-9-27-24(20)30/h2,5-7,10-13,17H,3-4,8-9H2,1H3,(H2,26,28)(H,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
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