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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50002974   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.120n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.860n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of SRC (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 7.10n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50465346
PNG
(CHEMBL4286991)
Show SMILES CC(C)c1ccc2c(CC[C@@H]3[C@]2(C)CCC[C@]3(CO)C(O)=O)c1
Show InChI InChI=1S/C20H28O3/c1-13(2)14-5-7-16-15(11-14)6-8-17-19(16,3)9-4-10-20(17,12-21)18(22)23/h5,7,11,13,17,21H,4,6,8-10,12H2,1-3H3,(H,22,23)/t17-,19-,20-/m1/s1
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n/an/a 7.20n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of BRAF (unknown origin) by Lanthascreen assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) by Lanthascreen assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50465342
PNG
(CHEMBL4293812)
Show SMILES COC(=O)C[C@]1(CCC[C@@]2(C)[C@H]1CCc1cc(ccc21)C(C)=C)C(O)=O
Show InChI InChI=1S/C22H28O4/c1-14(2)15-6-8-17-16(12-15)7-9-18-21(17,3)10-5-11-22(18,20(24)25)13-19(23)26-4/h6,8,12,18H,1,5,7,9-11,13H2,2-4H3,(H,24,25)/t18-,21-,22+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of AKT1 (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50465348
PNG
(CHEMBL4292650)
Show SMILES COC(=O)C[C@]1(CCC[C@@]2(C)[C@H]1CCc1cc(ccc21)C(C)C)C(O)=O
Show InChI InChI=1S/C22H30O4/c1-14(2)15-6-8-17-16(12-15)7-9-18-21(17,3)10-5-11-22(18,20(24)25)13-19(23)26-4/h6,8,12,14,18H,5,7,9-11,13H2,1-4H3,(H,24,25)/t18-,21-,22+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of GSK3b (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50143600
PNG
(CHEBI:29571 | DEHYDROABIETIC ACID | Dehydroabietic...)
Show SMILES CC(C)c1ccc2c(CC[C@H]3[C@@](C)(CCC[C@]23C)C(O)=O)c1
Show InChI InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50465345
PNG
(18-OXOFERRUGINOL | 18-Oxoferruginol | acs.jmedchem...)
Show SMILES CC(C)c1cc2CC[C@H]3[C@@](C)(CCC[C@]3(C)c2cc1O)C=O
Show InChI InChI=1S/C20H28O2/c1-13(2)15-10-14-6-7-18-19(3,12-21)8-5-9-20(18,4)16(14)11-17(15)22/h10-13,18,22H,5-9H2,1-4H3/t18-,19-,20+/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50465347
PNG
(CHEBI:52486 | POMIFERIN A)
Show SMILES CC(C)c1ccc2c(CC[C@H]3[C@](C)(CO)CCC[C@]23C)c1
Show InChI InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1
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Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50465338
PNG
(15-Hydroxydehydroabietic Acid | CHEMBL598566)
Show SMILES CC(C)(O)c1ccc2c(CC[C@H]3[C@@](C)(CCC[C@]23C)C(O)=O)c1
Show InChI InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1
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Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 58n/an/an/an/an/an/a



Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50465343
PNG
(CHEMBL4279751)
Show SMILES CC(=C)c1ccc2c(CC[C@@H]3[C@]2(C)CCC[C@]3(CO)C(O)=O)c1
Show InChI InChI=1S/C20H26O3/c1-13(2)14-5-7-16-15(11-14)6-8-17-19(16,3)9-4-10-20(17,12-21)18(22)23/h5,7,11,17,21H,1,4,6,8-10,12H2,2-3H3,(H,22,23)/t17-,19-,20-/m1/s1
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Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50465340
PNG
(CHEMBL4278579)
Show SMILES COC(=O)C[C@]1(CCC[C@@]2(C)[C@H]1CCc1cc(ccc21)C(C)=O)C(O)=O
Show InChI InChI=1S/C21H26O5/c1-13(22)14-5-7-16-15(11-14)6-8-17-20(16,2)9-4-10-21(17,19(24)25)12-18(23)26-3/h5,7,11,17H,4,6,8-10,12H2,1-3H3,(H,24,25)/t17-,20-,21+/m1/s1
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Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50465345
PNG
(18-OXOFERRUGINOL | 18-Oxoferruginol | acs.jmedchem...)
Show SMILES CC(C)c1cc2CC[C@H]3[C@@](C)(CCC[C@]3(C)c2cc1O)C=O
Show InChI InChI=1S/C20H28O2/c1-13(2)15-10-14-6-7-18-19(3,12-21)8-5-9-20(18,4)16(14)11-17(15)22/h10-13,18,22H,5-9H2,1-4H3/t18-,19-,20+/m0/s1
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Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50465348
PNG
(CHEMBL4292650)
Show SMILES COC(=O)C[C@]1(CCC[C@@]2(C)[C@H]1CCc1cc(ccc21)C(C)C)C(O)=O
Show InChI InChI=1S/C22H30O4/c1-14(2)15-6-8-17-16(12-15)7-9-18-21(17,3)10-5-11-22(18,20(24)25)13-19(23)26-4/h6,8,12,14,18H,5,7,9-11,13H2,1-4H3,(H,24,25)/t18-,21-,22+/m1/s1
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Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50465339
PNG
(CHEMBL4285076)
Show SMILES COC(=O)C[C@]1(CCC[C@@]2(C)[C@H]1CCc1cc(ccc21)C(C)(C)O)C(O)=O
Show InChI InChI=1S/C22H30O5/c1-20(2,26)15-7-8-16-14(12-15)6-9-17-21(16,3)10-5-11-22(17,19(24)25)13-18(23)27-4/h7-8,12,17,26H,5-6,9-11,13H2,1-4H3,(H,24,25)/t17-,21-,22+/m1/s1
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Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50465339
PNG
(CHEMBL4285076)
Show SMILES COC(=O)C[C@]1(CCC[C@@]2(C)[C@H]1CCc1cc(ccc21)C(C)(C)O)C(O)=O
Show InChI InChI=1S/C22H30O5/c1-20(2,26)15-7-8-16-14(12-15)6-9-17-21(16,3)10-5-11-22(17,19(24)25)13-18(23)27-4/h7-8,12,17,26H,5-6,9-11,13H2,1-4H3,(H,24,25)/t17-,21-,22+/m1/s1
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Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50465346
PNG
(CHEMBL4286991)
Show SMILES CC(C)c1ccc2c(CC[C@@H]3[C@]2(C)CCC[C@]3(CO)C(O)=O)c1
Show InChI InChI=1S/C20H28O3/c1-13(2)14-5-7-16-15(11-14)6-8-17-19(16,3)9-4-10-20(17,12-21)18(22)23/h5,7,11,13,17,21H,4,6,8-10,12H2,1-3H3,(H,22,23)/t17-,19-,20-/m1/s1
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Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50465341
PNG
(CHEMBL4289234)
Show SMILES COC(=O)C[C@]1(CCC[C@@]2(C)[C@H]1CCc1cc(O)ccc21)C(O)=O
Show InChI InChI=1S/C19H24O5/c1-18-8-3-9-19(17(22)23,11-16(21)24-2)15(18)7-4-12-10-13(20)5-6-14(12)18/h5-6,10,15,20H,3-4,7-9,11H2,1-2H3,(H,22,23)/t15-,18-,19+/m1/s1
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Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50465342
PNG
(CHEMBL4293812)
Show SMILES COC(=O)C[C@]1(CCC[C@@]2(C)[C@H]1CCc1cc(ccc21)C(C)=C)C(O)=O
Show InChI InChI=1S/C22H28O4/c1-14(2)15-6-8-17-16(12-15)7-9-18-21(17,3)10-5-11-22(18,20(24)25)13-19(23)26-4/h6,8,12,18H,1,5,7,9-11,13H2,2-4H3,(H,24,25)/t18-,21-,22+/m1/s1
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Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50143600
PNG
(CHEBI:29571 | DEHYDROABIETIC ACID | Dehydroabietic...)
Show SMILES CC(C)c1ccc2c(CC[C@H]3[C@@](C)(CCC[C@]23C)C(O)=O)c1
Show InChI InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1
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Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50465343
PNG
(CHEMBL4279751)
Show SMILES CC(=C)c1ccc2c(CC[C@@H]3[C@]2(C)CCC[C@]3(CO)C(O)=O)c1
Show InChI InChI=1S/C20H26O3/c1-13(2)14-5-7-16-15(11-14)6-8-17-19(16,3)9-4-10-20(17,12-21)18(22)23/h5,7,11,17,21H,1,4,6,8-10,12H2,2-3H3,(H,22,23)/t17-,19-,20-/m1/s1
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Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50465344
PNG
(CHEMBL4294902)
Show SMILES CC(=O)c1ccc2c(CC[C@@H]3[C@]2(C)CCC[C@]3(CO)C(O)=O)c1
Show InChI InChI=1S/C19H24O4/c1-12(21)13-4-6-15-14(10-13)5-7-16-18(15,2)8-3-9-19(16,11-20)17(22)23/h4,6,10,16,20H,3,5,7-9,11H2,1-2H3,(H,22,23)/t16-,18-,19-/m1/s1
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Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50465338
PNG
(15-Hydroxydehydroabietic Acid | CHEMBL598566)
Show SMILES CC(C)(O)c1ccc2c(CC[C@H]3[C@@](C)(CCC[C@]23C)C(O)=O)c1
Show InChI InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1
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Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50465341
PNG
(CHEMBL4289234)
Show SMILES COC(=O)C[C@]1(CCC[C@@]2(C)[C@H]1CCc1cc(O)ccc21)C(O)=O
Show InChI InChI=1S/C19H24O5/c1-18-8-3-9-19(17(22)23,11-16(21)24-2)15(18)7-4-12-10-13(20)5-6-14(12)18/h5-6,10,15,20H,3-4,7-9,11H2,1-2H3,(H,22,23)/t15-,18-,19+/m1/s1
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Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50465344
PNG
(CHEMBL4294902)
Show SMILES CC(=O)c1ccc2c(CC[C@@H]3[C@]2(C)CCC[C@]3(CO)C(O)=O)c1
Show InChI InChI=1S/C19H24O4/c1-12(21)13-4-6-15-14(10-13)5-7-16-18(15,2)8-3-9-19(16,11-20)17(22)23/h4,6,10,16,20H,3,5,7-9,11H2,1-2H3,(H,22,23)/t16-,18-,19-/m1/s1
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Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50465340
PNG
(CHEMBL4278579)
Show SMILES COC(=O)C[C@]1(CCC[C@@]2(C)[C@H]1CCc1cc(ccc21)C(C)=O)C(O)=O
Show InChI InChI=1S/C21H26O5/c1-13(22)14-5-7-16-15(11-14)6-8-17-20(16,2)9-4-10-21(17,19(24)25)12-18(23)26-3/h5,7,11,17H,4,6,8-10,12H2,1-3H3,(H,24,25)/t17-,20-,21+/m1/s1
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Yunnan University

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin) by mobility shift assay


J Nat Prod 81: 998-1006 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01082
BindingDB Entry DOI: 10.7270/Q2P84FK3
More data for this
Ligand-Target Pair