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BDBM451756 N-(4-(6-amino-5-(1-oxo- 1,2,3,4-tetrahydroisoquinolin- 6-yl)pyridin-3-yl)-3- (benzyloxy)phenyl) cyclopropanesulfonamide::US10710978, Compound I-66

SMILES: Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1ccc(NS(=O)(=O)C2CC2)cc1OCc1ccccc1

InChI Key: InChIKey=LLJXDWBCSVQOIR-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 = 451756   
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))
BDBM451756
PNG
(N-(4-(6-amino-5-(1-oxo- 1,2,3,4-tetrahydroisoquino...)
Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1ccc(NS(=O)(=O)C2CC2)cc1OCc1ccccc1
Show InChI InChI=1S/C30H28N4O4S/c31-29-27(20-6-10-26-21(14-20)12-13-32-30(26)35)15-22(17-33-29)25-11-7-23(34-39(36,37)24-8-9-24)16-28(25)38-18-19-4-2-1-3-5-19/h1-7,10-11,14-17,24,34H,8-9,12-13,18H2,(H2,31,33)(H,32,35)
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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 26


(Homo sapiens (Human))
BDBM451756
PNG
(N-(4-(6-amino-5-(1-oxo- 1,2,3,4-tetrahydroisoquino...)
Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1ccc(NS(=O)(=O)C2CC2)cc1OCc1ccccc1
Show InChI InChI=1S/C30H28N4O4S/c31-29-27(20-6-10-26-21(14-20)12-13-32-30(26)35)15-22(17-33-29)25-11-7-23(34-39(36,37)24-8-9-24)16-28(25)38-18-19-4-2-1-3-5-19/h1-7,10-11,14-17,24,34H,8-9,12-13,18H2,(H2,31,33)(H,32,35)
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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))
BDBM451756
PNG
(N-(4-(6-amino-5-(1-oxo- 1,2,3,4-tetrahydroisoquino...)
Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1ccc(NS(=O)(=O)C2CC2)cc1OCc1ccccc1
Show InChI InChI=1S/C30H28N4O4S/c31-29-27(20-6-10-26-21(14-20)12-13-32-30(26)35)15-22(17-33-29)25-11-7-23(34-39(36,37)24-8-9-24)16-28(25)38-18-19-4-2-1-3-5-19/h1-7,10-11,14-17,24,34H,8-9,12-13,18H2,(H2,31,33)(H,32,35)
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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))
BDBM451756
PNG
(N-(4-(6-amino-5-(1-oxo- 1,2,3,4-tetrahydroisoquino...)
Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1ccc(NS(=O)(=O)C2CC2)cc1OCc1ccccc1
Show InChI InChI=1S/C30H28N4O4S/c31-29-27(20-6-10-26-21(14-20)12-13-32-30(26)35)15-22(17-33-29)25-11-7-23(34-39(36,37)24-8-9-24)16-28(25)38-18-19-4-2-1-3-5-19/h1-7,10-11,14-17,24,34H,8-9,12-13,18H2,(H2,31,33)(H,32,35)
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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