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BDBM100349 US10533001, Example Table 9a.2::US8501944, 371::US9868729, Example 207

SMILES: CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1

InChI Key: InChIKey=CQNHZTVKOGLVDJ-ZDUSSCGKSA-N

Data: 2 IC50  6 Kd

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 8 hits for monomerid = 100349   
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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM100349
PNG
(US10533001, Example Table 9a.2 | US8501944, 371 | ...)
Show SMILES CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-23-20(30)13-3-2-10-28(12-13)16-8-6-15(7-9-16)26-21-24-11-17(18(22)29)19(27-21)25-14-4-5-14/h6-9,11,13-14H,2-5,10,12H2,1H3,(H2,22,29)(H,23,30)(H2,24,25,26,27)/t13-/m0/s1
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n/an/an/a 11n/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent


Assay Description
ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.


US Patent US8501944 (2013)


BindingDB Entry DOI: 10.7270/Q20Z71W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM100349
PNG
(US10533001, Example Table 9a.2 | US8501944, 371 | ...)
Show SMILES CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-23-20(30)13-3-2-10-28(12-13)16-8-6-15(7-9-16)26-21-24-11-17(18(22)29)19(27-21)25-14-4-5-14/h6-9,11,13-14H,2-5,10,12H2,1H3,(H2,22,29)(H,23,30)(H2,24,25,26,27)/t13-/m0/s1
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n/an/an/a 3n/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent


Assay Description
ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.


US Patent US8501944 (2013)


BindingDB Entry DOI: 10.7270/Q20Z71W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM100349
PNG
(US10533001, Example Table 9a.2 | US8501944, 371 | ...)
Show SMILES CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-23-20(30)13-3-2-10-28(12-13)16-8-6-15(7-9-16)26-21-24-11-17(18(22)29)19(27-21)25-14-4-5-14/h6-9,11,13-14H,2-5,10,12H2,1H3,(H2,22,29)(H,23,30)(H2,24,25,26,27)/t13-/m0/s1
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n/an/an/a 11n/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent


Assay Description
This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T...


US Patent US8937070 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22RV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM100349
PNG
(US10533001, Example Table 9a.2 | US8501944, 371 | ...)
Show SMILES CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-23-20(30)13-3-2-10-28(12-13)16-8-6-15(7-9-16)26-21-24-11-17(18(22)29)19(27-21)25-14-4-5-14/h6-9,11,13-14H,2-5,10,12H2,1H3,(H2,22,29)(H,23,30)(H2,24,25,26,27)/t13-/m0/s1
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n/an/an/a 3n/an/an/an/an/a



PORTOLA PHARMACEUTICALS, INC.

US Patent


Assay Description
Syk and JAK: The activity of a specified compound as an inhibitor of a JAK kinase may be assessed in vitro or in vivo. In some embodiments, the activ...


US Patent US10533001 (2020)


BindingDB Entry DOI: 10.7270/Q2Z03BJR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM100349
PNG
(US10533001, Example Table 9a.2 | US8501944, 371 | ...)
Show SMILES CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-23-20(30)13-3-2-10-28(12-13)16-8-6-15(7-9-16)26-21-24-11-17(18(22)29)19(27-21)25-14-4-5-14/h6-9,11,13-14H,2-5,10,12H2,1H3,(H2,22,29)(H,23,30)(H2,24,25,26,27)/t13-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Amgen



Assay Description
SYK tyrosine phosphorylation activity is measured using the LANCE™ Technology developed by Perkin Elmer Life and Analytical Sciences (Boston, Mass.)....


J Med Chem 50: 3528-39 (2007)


BindingDB Entry DOI: 10.7270/Q28K7CDJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM100349
PNG
(US10533001, Example Table 9a.2 | US8501944, 371 | ...)
Show SMILES CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-23-20(30)13-3-2-10-28(12-13)16-8-6-15(7-9-16)26-21-24-11-17(18(22)29)19(27-21)25-14-4-5-14/h6-9,11,13-14H,2-5,10,12H2,1H3,(H2,22,29)(H,23,30)(H2,24,25,26,27)/t13-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



PORTOLA PHARMACEUTICALS, INC.

US Patent


Assay Description
Syk and JAK: The activity of a specified compound as an inhibitor of a JAK kinase may be assessed in vitro or in vivo. In some embodiments, the activ...


US Patent US10533001 (2020)


BindingDB Entry DOI: 10.7270/Q2Z03BJR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM100349
PNG
(US10533001, Example Table 9a.2 | US8501944, 371 | ...)
Show SMILES CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-23-20(30)13-3-2-10-28(12-13)16-8-6-15(7-9-16)26-21-24-11-17(18(22)29)19(27-21)25-14-4-5-14/h6-9,11,13-14H,2-5,10,12H2,1H3,(H2,22,29)(H,23,30)(H2,24,25,26,27)/t13-/m0/s1
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n/an/an/a 11n/an/an/an/an/a



PORTOLA PHARMACEUTICALS, INC.

US Patent


Assay Description
Syk and JAK: The activity of a specified compound as an inhibitor of a JAK kinase may be assessed in vitro or in vivo. In some embodiments, the activ...


US Patent US10533001 (2020)


BindingDB Entry DOI: 10.7270/Q2Z03BJR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM100349
PNG
(US10533001, Example Table 9a.2 | US8501944, 371 | ...)
Show SMILES CNC(=O)[C@H]1CCCN(C1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-23-20(30)13-3-2-10-28(12-13)16-8-6-15(7-9-16)26-21-24-11-17(18(22)29)19(27-21)25-14-4-5-14/h6-9,11,13-14H,2-5,10,12H2,1H3,(H2,22,29)(H,23,30)(H2,24,25,26,27)/t13-/m0/s1
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US Patent
n/an/an/a 3n/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent


Assay Description
This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). T...


US Patent US8937070 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22RV
More data for this
Ligand-Target Pair