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SMILES: Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1cccc(NS(=O)(=O)C2CC2)c1

InChI Key: InChIKey=JDXAMXWPRBZKTC-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 = 451748   
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))
BDBM451748
PNG
(N-(3-(6-amino-5-(1-oxo- 1,2,3,4-tetrahydroisoquino...)
Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C23H22N4O3S/c24-22-21(15-4-7-20-16(10-15)8-9-25-23(20)28)12-17(13-26-22)14-2-1-3-18(11-14)27-31(29,30)19-5-6-19/h1-4,7,10-13,19,27H,5-6,8-9H2,(H2,24,26)(H,25,28)
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antibodypedia
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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))
BDBM451748
PNG
(N-(3-(6-amino-5-(1-oxo- 1,2,3,4-tetrahydroisoquino...)
Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C23H22N4O3S/c24-22-21(15-4-7-20-16(10-15)8-9-25-23(20)28)12-17(13-26-22)14-2-1-3-18(11-14)27-31(29,30)19-5-6-19/h1-4,7,10-13,19,27H,5-6,8-9H2,(H2,24,26)(H,25,28)
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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)


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


(Homo sapiens (Human))
BDBM451748
PNG
(N-(3-(6-amino-5-(1-oxo- 1,2,3,4-tetrahydroisoquino...)
Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C23H22N4O3S/c24-22-21(15-4-7-20-16(10-15)8-9-25-23(20)28)12-17(13-26-22)14-2-1-3-18(11-14)27-31(29,30)19-5-6-19/h1-4,7,10-13,19,27H,5-6,8-9H2,(H2,24,26)(H,25,28)
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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))
BDBM451748
PNG
(N-(3-(6-amino-5-(1-oxo- 1,2,3,4-tetrahydroisoquino...)
Show SMILES Nc1ncc(cc1-c1ccc2C(=O)NCCc2c1)-c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C23H22N4O3S/c24-22-21(15-4-7-20-16(10-15)8-9-25-23(20)28)12-17(13-26-22)14-2-1-3-18(11-14)27-31(29,30)19-5-6-19/h1-4,7,10-13,19,27H,5-6,8-9H2,(H2,24,26)(H,25,28)
PDB
MMDB

Reactome pathway
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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