BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 216 hits from CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.   
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))
BDBM239977
PNG
(US9403801, 48)
Show SMILES Clc1cnc(Nc2cnn(CC3CC3)c2)nc1NC1CCC2(CC1)CCN(CC2)C(=O)CC#N
Show InChI InChI=1S/C24H31ClN8O/c25-20-14-27-23(30-19-13-28-33(16-19)15-17-1-2-17)31-22(20)29-18-3-6-24(7-4-18)8-11-32(12-9-24)21(34)5-10-26/h13-14,16-18H,1-9,11-12,15H2,(H2,27,29,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.400n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239968
PNG
(US9403801, 33)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)c3ccc(cn3)C#N)n2)cn1
Show InChI InChI=1S/C21H22ClN9/c1-30-12-17(8-26-30)28-21-25-9-18(22)20(29-21)27-16-4-14-10-31(11-15(14)5-16)19-3-2-13(6-23)7-24-19/h2-3,7-9,12,14-16H,4-5,10-11H2,1H3,(H2,25,27,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.400n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239976
PNG
(US9403801, 46)
Show SMILES Clc1cnc(Nc2cnn(CC3CC3)c2)nc1NC1CC2CN(CC2C1)C(=O)CC#N
Show InChI InChI=1S/C21H25ClN8O/c22-18-8-24-21(27-17-7-25-30(12-17)9-13-1-2-13)28-20(18)26-16-5-14-10-29(11-15(14)6-16)19(31)3-4-23/h7-8,12-16H,1-3,5-6,9-11H2,(H2,24,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.5n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239955
PNG
(US9403801, 14A | US9403801, 14B)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CCN(C4)C(=O)CC#N)CC3)n2)cn1
Show InChI InChI=1S/C20H25ClN8O/c1-28-12-15(10-24-28)26-19-23-11-16(21)18(27-19)25-14-2-5-20(6-3-14)7-9-29(13-20)17(30)4-8-22/h10-12,14H,2-7,9,13H2,1H3,(H2,23,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.800n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239965
PNG
(US9403801, 30)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)C(=O)C(F)(F)F)n2)cn1
Show InChI InChI=1S/C20H25ClF3N7O/c1-30-12-14(10-26-30)28-18-25-11-15(21)16(29-18)27-13-2-4-19(5-3-13)6-8-31(9-7-19)17(32)20(22,23)24/h10-13H,2-9H2,1H3,(H2,25,27,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.900n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239963
PNG
(US9403801, 28)
Show SMILES CC(=O)N1CCC2(CCC(CC2)Nc2nc(Nc3cnn(C)c3)ncc2Cl)CC1
Show InChI InChI=1S/C20H28ClN7O/c1-14(29)28-9-7-20(8-10-28)5-3-15(4-6-20)24-18-17(21)12-22-19(26-18)25-16-11-23-27(2)13-16/h11-13,15H,3-10H2,1-2H3,(H2,22,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.900n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM259449
PNG
(US9512114, 8)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C24H20ClN7O2/c1-13(29-22-20(21(26)27-12-28-22)23-30-14(2)31-34-23)18-11-15-7-6-10-17(25)19(15)24(33)32(18)16-8-4-3-5-9-16/h3-13H,1-2H3,(H3,26,27,28,29)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110δ/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239966
PNG
(US9403801, 31)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1
Show InChI InChI=1S/C16H22ClN7O2S/c1-23-9-13(5-19-23)21-16-18-6-14(17)15(22-16)20-12-3-10-7-24(27(2,25)26)8-11(10)4-12/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,18,20,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239953
PNG
(US9403801, 12)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)CC#N)n2)cn1
Show InChI InChI=1S/C18H21ClN8O/c1-26-10-14(6-22-26)24-18-21-7-15(19)17(25-18)23-13-4-11-8-27(9-12(11)5-13)16(28)2-3-20/h6-7,10-13H,2,4-5,8-9H2,1H3,(H2,21,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM239955
PNG
(US9403801, 14A | US9403801, 14B)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CCN(C4)C(=O)CC#N)CC3)n2)cn1
Show InChI InChI=1S/C20H25ClN8O/c1-28-12-15(10-24-28)26-19-23-11-16(21)18(27-19)25-14-2-5-20(6-3-14)7-9-29(13-20)17(30)4-8-22/h10-12,14H,2-7,9,13H2,1H3,(H2,23,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
TYK2 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM GGMEDIYFEFMGGKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity approx...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239981
PNG
(US9403801, 59)
Show SMILES Cc1cnc(Nc2cnn(C)c2)nc1NC1CC2CN(CC2C1)c1ccc(cn1)C#N
Show InChI InChI=1S/C22H25N9/c1-14-8-25-22(28-19-10-26-30(2)13-19)29-21(14)27-18-5-16-11-31(12-17(16)6-18)20-4-3-15(7-23)9-24-20/h3-4,8-10,13,16-18H,5-6,11-12H2,1-2H3,(H2,25,27,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM259443
PNG
(US9512114, 2)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C26H25N7O2/c1-4-19(31-24-22(23(27)28-14-29-24)25-30-16(3)32-35-25)20-13-17-10-8-9-15(2)21(17)26(34)33(20)18-11-6-5-7-12-18/h5-14,19H,4H2,1-3H3,(H3,27,28,29,31)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110δ/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM259444
PNG
(US9512114, 3)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C25H22ClN7O2/c1-3-18(31-23-21(22(27)28-13-29-23)24-30-14(2)32-35-24)19-12-15-8-7-11-17(26)20(15)25(34)33(19)16-9-5-4-6-10-16/h4-13,18H,3H2,1-2H3,(H3,27,28,29,31)/t18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110δ/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
p110δ/p85α


(Homo sapiens (human))
BDBM188124
PNG
(US9670194, Ex. 3 (S)-2-(1-((6-amino-5-(3-methyl-1,...)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C24H21ClN8O2/c1-3-16(30-21-19(20(26)27-12-28-21)23-29-13(2)32-35-23)22-31-17-11-7-10-15(25)18(17)24(34)33(22)14-8-5-4-6-9-14/h4-12,16H,3H2,1-2H3,(H3,26,27,28,30)/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110α/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol 4,5-bisphosphate and MgATP (concentration as ...


US Patent US9670194 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0S1D
More data for this
Ligand-Target Pair
p110δ/p85α


(Homo sapiens (human))
BDBM189846
PNG
(US9670194, Ex. 65 (S)-2-(1-((6-amino-5-(3-methyl-1...)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C23H19ClN8O2/c1-12(28-20-18(19(25)26-11-27-20)22-29-13(2)31-34-22)21-30-16-10-6-9-15(24)17(16)23(33)32(21)14-7-4-3-5-8-14/h3-12H,1-2H3,(H3,25,26,27,28)/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110α/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol 4,5-bisphosphate and MgATP (concentration as ...


US Patent US9670194 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239969
PNG
(US9403801, 34)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)C(F)(F)F)n2)cn1
Show InChI InChI=1S/C17H19ClF3N7O/c1-27-8-12(4-23-27)25-16-22-5-13(18)14(26-16)24-11-2-9-6-28(7-10(9)3-11)15(29)17(19,20)21/h4-5,8-11H,2-3,6-7H2,1H3,(H2,22,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239970
PNG
(US9403801, 35)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC(F)(F)F)CC4C3)n2)cn1
Show InChI InChI=1S/C17H21ClF3N7/c1-27-8-13(4-23-27)25-16-22-5-14(18)15(26-16)24-12-2-10-6-28(7-11(10)3-12)9-17(19,20)21/h4-5,8,10-12H,2-3,6-7,9H2,1H3,(H2,22,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239964
PNG
(US9403801, 29)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)S(C)(=O)=O)n2)cn1
Show InChI InChI=1S/C19H28ClN7O2S/c1-26-13-15(11-22-26)24-18-21-12-16(20)17(25-18)23-14-3-5-19(6-4-14)7-9-27(10-8-19)30(2,28)29/h11-14H,3-10H2,1-2H3,(H2,21,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239954
PNG
(US9403801, 13.3A | US9403801, 13.3B)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CCNC4)CC3)n2)cn1
Show InChI InChI=1S/C17H24ClN7/c1-25-10-13(8-21-25)23-16-20-9-14(18)15(24-16)22-12-2-4-17(5-3-12)6-7-19-11-17/h8-10,12,19H,2-7,11H2,1H3,(H2,20,22,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239954
PNG
(US9403801, 13.3A | US9403801, 13.3B)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CCNC4)CC3)n2)cn1
Show InChI InChI=1S/C17H24ClN7/c1-25-10-13(8-21-25)23-16-20-9-14(18)15(24-16)22-12-2-4-17(5-3-12)6-7-19-11-17/h8-10,12,19H,2-7,11H2,1H3,(H2,20,22,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239955
PNG
(US9403801, 14A | US9403801, 14B)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CCN(C4)C(=O)CC#N)CC3)n2)cn1
Show InChI InChI=1S/C20H25ClN8O/c1-28-12-15(10-24-28)26-19-23-11-16(21)18(27-19)25-14-2-5-20(6-3-14)7-9-29(13-20)17(30)4-8-22/h10-12,14H,2-7,9,13H2,1H3,(H2,23,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239958
PNG
(US9403801, 22)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4CN(CC4C3)C(=O)CC#N)n2)cn1
Show InChI InChI=1S/C19H23ClN8O/c1-27-11-15(7-23-27)25-19-22-8-16(20)18(26-19)24-14-3-2-12-9-28(10-13(12)6-14)17(29)4-5-21/h7-8,11-14H,2-4,6,9-10H2,1H3,(H2,22,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239961
PNG
(US9403801, 26)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)C(=O)CC#N)n2)cn1
Show InChI InChI=1S/C21H27ClN8O/c1-29-14-16(12-25-29)27-20-24-13-17(22)19(28-20)26-15-2-5-21(6-3-15)7-10-30(11-8-21)18(31)4-9-23/h12-15H,2-8,10-11H2,1H3,(H2,24,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239985
PNG
(US9403801, 64)
Show SMILES Cc1nn(C)cc1Nc1ncc(Cl)c(NC2CC3CN(CC3C2)C(=O)CC#N)n1
Show InChI InChI=1S/C19H23ClN8O/c1-11-16(10-27(2)26-11)24-19-22-7-15(20)18(25-19)23-14-5-12-8-28(9-13(12)6-14)17(29)3-4-21/h7,10,12-14H,3,5-6,8-9H2,1-2H3,(H2,22,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM259457
PNG
(US9512114, 22)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nc(CC)no1)c1cc2cccc(Cl)c2c(=O)n1C1CC1
Show InChI InChI=1S/C23H24ClN7O2/c1-3-15(28-21-19(20(25)26-11-27-21)22-29-17(4-2)30-33-22)16-10-12-6-5-7-14(24)18(12)23(32)31(16)13-8-9-13/h5-7,10-11,13,15H,3-4,8-9H2,1-2H3,(H3,25,26,27,28)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110δ/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM259458
PNG
(US9512114, 23)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C24H19ClFN7O2/c1-12(30-22-20(21(27)28-11-29-22)23-31-13(2)32-35-23)18-9-14-5-3-8-17(25)19(14)24(34)33(18)16-7-4-6-15(26)10-16/h3-12H,1-2H3,(H3,27,28,29,30)/t12-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110δ/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM259459
PNG
(US9512114, 24)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(Cl)c2c(=O)n1C1CC1
Show InChI InChI=1S/C21H20ClN7O2/c1-10(26-19-17(18(23)24-9-25-19)20-27-11(2)28-31-20)15-8-12-4-3-5-14(22)16(12)21(30)29(15)13-6-7-13/h3-5,8-10,13H,6-7H2,1-2H3,(H3,23,24,25,26)/t10-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110δ/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239957
PNG
(US9403801, 20)
Show SMILES CN(C1CCC2(C1)CCCN(C2)C(=O)CC#N)c1nc(Nc2cnn(C)c2)ncc1Cl
Show InChI InChI=1S/C21H27ClN8O/c1-28-13-15(11-25-28)26-20-24-12-17(22)19(27-20)29(2)16-4-7-21(10-16)6-3-9-30(14-21)18(31)5-8-23/h11-13,16H,3-7,9-10,14H2,1-2H3,(H,24,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239967
PNG
(US9403801, 32)
Show SMILES CC(=O)N1CC2CC(CC2C1)Nc1nc(Nc2cnn(C)c2)ncc1Cl
Show InChI InChI=1S/C17H22ClN7O/c1-10(26)25-7-11-3-13(4-12(11)8-25)21-16-15(18)6-19-17(23-16)22-14-5-20-24(2)9-14/h5-6,9,11-13H,3-4,7-8H2,1-2H3,(H2,19,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239974
PNG
(US9403801, 42)
Show SMILES Cn1cnc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)C(=O)CC#N)n2)c1
Show InChI InChI=1S/C21H27ClN8O/c1-29-13-17(25-14-29)27-20-24-12-16(22)19(28-20)26-15-2-5-21(6-3-15)7-10-30(11-8-21)18(31)4-9-23/h12-15H,2-8,10-11H2,1H3,(H2,24,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM239968
PNG
(US9403801, 33)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)c3ccc(cn3)C#N)n2)cn1
Show InChI InChI=1S/C21H22ClN9/c1-30-12-17(8-26-30)28-21-25-9-18(22)20(29-21)27-16-4-14-10-31(11-15(14)5-16)19-3-2-13(6-23)7-24-19/h2-3,7-9,12,14-16H,4-5,10-11H2,1H3,(H2,25,27,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK2 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100 μM KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC, 10 mM MgAcetate and [γ-33P-ATP](s...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
p110δ/p85α


(Homo sapiens (human))
BDBM188116
PNG
(US9670194, Ex. 1 (S)-2-(1-((6-amino-5-(5-methyl-1,...)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C24H21ClN8O2/c1-3-16(29-21-19(20(26)27-12-28-21)23-32-31-13(2)35-23)22-30-17-11-7-10-15(25)18(17)24(34)33(22)14-8-5-4-6-9-14/h4-12,16H,3H2,1-2H3,(H3,26,27,28,29)/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110α/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol 4,5-bisphosphate and MgATP (concentration as ...


US Patent US9670194 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0S1D
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM259448
PNG
(US9512114, 7)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(Cl)c2c(=O)n1C1CC1
Show InChI InChI=1S/C22H22ClN7O2/c1-3-15(28-20-18(19(24)25-10-26-20)21-27-11(2)29-32-21)16-9-12-5-4-6-14(23)17(12)22(31)30(16)13-7-8-13/h4-6,9-10,13,15H,3,7-8H2,1-2H3,(H3,24,25,26,28)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110δ/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM259450
PNG
(US9512114, 9)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C24H20ClN7O2/c1-13(29-22-20(21(26)27-12-28-22)23-31-30-14(2)34-23)18-11-15-7-6-10-17(25)19(15)24(33)32(18)16-8-4-3-5-9-16/h3-13H,1-2H3,(H3,26,27,28,29)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110δ/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM259461
PNG
(US9512114, 26)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1C1CC1
Show InChI InChI=1S/C25H25N9O2/c1-13(30-23-21(22(26)27-12-28-23)24-31-14(2)32-36-24)19-9-15-5-4-6-18(16-10-29-33(3)11-16)20(15)25(35)34(19)17-7-8-17/h4-6,9-13,17H,7-8H2,1-3H3,(H3,26,27,28,30)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110δ/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239962
PNG
(US9403801, 27)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)c3ccc(cn3)C#N)n2)cn1
Show InChI InChI=1S/C24H28ClN9/c1-33-16-19(14-29-33)31-23-28-15-20(25)22(32-23)30-18-4-6-24(7-5-18)8-10-34(11-9-24)21-3-2-17(12-26)13-27-21/h2-3,13-16,18H,4-11H2,1H3,(H2,28,30,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM239963
PNG
(US9403801, 28)
Show SMILES CC(=O)N1CCC2(CCC(CC2)Nc2nc(Nc3cnn(C)c3)ncc2Cl)CC1
Show InChI InChI=1S/C20H28ClN7O/c1-14(29)28-9-7-20(8-10-28)5-3-15(4-6-20)24-18-17(21)12-22-19(26-18)25-16-11-23-27(2)13-16/h11-13,15H,3-10H2,1-2H3,(H2,22,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK2 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100 μM KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC, 10 mM MgAcetate and [γ-33P-ATP](s...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM239963
PNG
(US9403801, 28)
Show SMILES CC(=O)N1CCC2(CCC(CC2)Nc2nc(Nc3cnn(C)c3)ncc2Cl)CC1
Show InChI InChI=1S/C20H28ClN7O/c1-14(29)28-9-7-20(8-10-28)5-3-15(4-6-20)24-18-17(21)12-22-19(26-18)25-16-11-23-27(2)13-16/h11-13,15H,3-10H2,1-2H3,(H2,22,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
TYK2 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM GGMEDIYFEFMGGKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity approx...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM239966
PNG
(US9403801, 31)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)S(C)(=O)=O)n2)cn1
Show InChI InChI=1S/C16H22ClN7O2S/c1-23-9-13(5-19-23)21-16-18-6-14(17)15(22-16)20-12-3-10-7-24(27(2,25)26)8-11(10)4-12/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,18,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Aurora-A (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 200 μM LRRASLG (Kemptide), 10 mM MgAcetate and [γ-33P-ATP](specific activity ...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239984
PNG
(US9403801, 62)
Show SMILES Cc1cnc(Nc2cnn(C)c2)nc1NC1CC2CN(CC2C1)S(C)(=O)=O
Show InChI InChI=1S/C17H25N7O2S/c1-11-6-18-17(21-15-7-19-23(2)10-15)22-16(11)20-14-4-12-8-24(27(3,25)26)9-13(12)5-14/h6-7,10,12-14H,4-5,8-9H2,1-3H3,(H2,18,20,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM259442
PNG
(US9512114, 1)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(F)c2c(=O)n1C1CC1
Show InChI InChI=1S/C22H22FN7O2/c1-3-15(28-20-18(19(24)25-10-26-20)21-27-11(2)29-32-21)16-9-12-5-4-6-14(23)17(12)22(31)30(16)13-7-8-13/h4-6,9-10,13,15H,3,7-8H2,1-2H3,(H3,24,25,26,28)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110δ/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
p110δ/p85α


(Homo sapiens (human))
BDBM189408
PNG
(US9670194, Ex. 41 (S)-2-(1-((6-amino-5-(3-methyl-1...)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(Cl)c2c(=O)n1C1CC1
Show InChI InChI=1S/C20H19ClN8O2/c1-9(25-17-15(16(22)23-8-24-17)19-26-10(2)28-31-19)18-27-13-5-3-4-12(21)14(13)20(30)29(18)11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H3,22,23,24,25)/t9-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110α/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol 4,5-bisphosphate and MgATP (concentration as ...


US Patent US9670194 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239971
PNG
(US9403801, 37)
Show SMILES Cc1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)C(=O)CC#N)n2)nn1C
Show InChI InChI=1S/C22H29ClN8O/c1-15-13-18(29-30(15)2)27-21-25-14-17(23)20(28-21)26-16-3-6-22(7-4-16)8-11-31(12-9-22)19(32)5-10-24/h13-14,16H,3-9,11-12H2,1-2H3,(H2,25,26,27,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239972
PNG
(US9403801, 39)
Show SMILES Cc1cc(Nc2ncc(Cl)c(NC3CC4CN(CC4C3)C(=O)CC#N)n2)nn1C
Show InChI InChI=1S/C19H23ClN8O/c1-11-5-16(26-27(11)2)24-19-22-8-15(20)18(25-19)23-14-6-12-9-28(10-13(12)7-14)17(29)3-4-21/h5,8,12-14H,3,6-7,9-10H2,1-2H3,(H2,22,23,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM239965
PNG
(US9403801, 30)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)C(=O)C(F)(F)F)n2)cn1
Show InChI InChI=1S/C20H25ClF3N7O/c1-30-12-14(10-26-30)28-18-25-11-15(21)16(29-18)27-13-2-4-19(5-3-13)6-8-31(9-7-19)17(32)20(22,23)24/h10-13H,2-9H2,1H3,(H2,25,27,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK2 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100 μM KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC, 10 mM MgAcetate and [γ-33P-ATP](s...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239982
PNG
(US9403801, 60)
Show SMILES Cc1cnc(Nc2cnn(C)c2)nc1NC1CC2CN(CC2C1)C(=O)CC#N
Show InChI InChI=1S/C19H24N8O/c1-12-7-21-19(24-16-8-22-26(2)11-16)25-18(12)23-15-5-13-9-27(10-14(13)6-15)17(28)3-4-20/h7-8,11,13-15H,3,5-6,9-10H2,1-2H3,(H2,21,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM239955
PNG
(US9403801, 14A | US9403801, 14B)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CCN(C4)C(=O)CC#N)CC3)n2)cn1
Show InChI InChI=1S/C20H25ClN8O/c1-28-12-15(10-24-28)26-19-23-11-16(21)18(27-19)25-14-2-5-20(6-3-14)7-9-29(13-20)17(30)4-8-22/h10-12,14H,2-7,9,13H2,1H3,(H2,23,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK2 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100 μM KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC, 10 mM MgAcetate and [γ-33P-ATP](s...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM239964
PNG
(US9403801, 29)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(CC4)S(C)(=O)=O)n2)cn1
Show InChI InChI=1S/C19H28ClN7O2S/c1-26-13-15(11-22-26)24-18-21-12-16(20)17(25-18)23-14-3-5-19(6-4-14)7-9-27(10-8-19)30(2,28)29/h11-14H,3-10H2,1-2H3,(H2,21,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK2 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100 μM KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC, 10 mM MgAcetate and [γ-33P-ATP](s...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM239979
PNG
(US9403801, 56)
Show SMILES Cn1nc(cc1Nc1ncc(Cl)c(NC2CC3CN(CC3C2)C(=O)CC#N)n1)C1CC1
Show InChI InChI=1S/C21H25ClN8O/c1-29-18(8-17(28-29)12-2-3-12)26-21-24-9-16(22)20(27-21)25-15-6-13-10-30(11-14(13)7-15)19(31)4-5-23/h8-9,12-15H,2-4,6-7,10-11H2,1H3,(H2,24,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM GEEPLYWSFPAKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity app...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM259446
PNG
(US9512114, 5)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C25H22ClN7O2/c1-3-18(30-23-21(22(27)28-13-29-23)24-32-31-14(2)35-24)19-12-15-8-7-11-17(26)20(15)25(34)33(19)16-9-5-4-6-10-16/h4-13,18H,3H2,1-2H3,(H3,27,28,29,30)/t18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110δ/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 216 total )  |  Next  |  Last  >>
Jump to: