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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK3' and Ligand = 'BDBM100348'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM100348
PNG
(US8501944, 370 | US8501944, 374)
Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26)
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PC cid
PC sid
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US Patent
n/an/an/a 2.90n/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))
BDBM100348
PNG
(US8501944, 370 | US8501944, 374)
Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26)
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/a 2.90n/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))
BDBM100348
PNG
(US8501944, 370 | US8501944, 374)
Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/a 2.90n/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))
BDBM100348
PNG
(US8501944, 370 | US8501944, 374)
Show SMILES COCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
Show InChI InChI=1S/C21H27N7O3/c1-31-13-18(29)28-10-8-27(9-11-28)16-6-4-15(5-7-16)25-21-23-12-17(19(22)30)20(26-21)24-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H2,22,30)(H2,23,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/a 2.90n/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