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Compile Data Set for Download or QSAR

Found 199 hits with Last Name = 'nakayama' and Initial = 's'   
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
Golgi alpha-mannosidase II


(Drosophila melanogaster (Fruit fly))
BDBM84868
PNG
(Swainsonine derivative, 3)
Show SMILES Cc1ccc(cc1)C(=O)C[C@H]1CC[C@@H](O)C2[C@H](O)[C@H](O)CN12 |r|
Show InChI InChI=1S/C17H23NO4/c1-10-2-4-11(5-3-10)14(20)8-12-6-7-13(19)16-17(22)15(21)9-18(12)16/h2-5,12-13,15-17,19,21-22H,6-9H2,1H3/t12-,13-,15-,16?,17-/m1/s1
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2.70 -48.9 29n/an/an/an/a5.7525



University of Toronto



Assay Description
Inhibition of dGMII was measured at pH 5.75. Determination of the IC50 values (concentrations of inhibitor at which 50% of activity remains) was car...


Chembiochem 11: 673-80 (2010)


Article DOI: 10.1002/cbic.200900750
BindingDB Entry DOI: 10.7270/Q2WS8RRM
More data for this
Ligand-Target Pair
Golgi alpha-mannosidase II


(Drosophila melanogaster (Fruit fly))
BDBM84869
PNG
(Swainsonine derivative, 4)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)C[C@H]1CC[C@@H](O)C2[C@H](O)[C@H](O)CN12 |r|
Show InChI InChI=1S/C20H29NO4/c1-20(2,3)13-6-4-12(5-7-13)16(23)10-14-8-9-15(22)18-19(25)17(24)11-21(14)18/h4-7,14-15,17-19,22,24-25H,8-11H2,1-3H3/t14-,15-,17-,18?,19-/m1/s1
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2.70 -48.9 29n/an/an/an/a5.7525



University of Toronto



Assay Description
Inhibition of dGMII was measured at pH 5.75. Determination of the IC50 values (concentrations of inhibitor at which 50% of activity remains) was car...


Chembiochem 11: 673-80 (2010)


Article DOI: 10.1002/cbic.200900750
BindingDB Entry DOI: 10.7270/Q2WS8RRM
More data for this
Ligand-Target Pair
Golgi alpha-mannosidase II


(Drosophila melanogaster (Fruit fly))
BDBM84867
PNG
(Swainsonine derivative, 2)
Show SMILES O[C@@H]1CN2C([C@@H]1O)[C@H](O)CC[C@@H]2CC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C16H21NO4/c18-12-7-6-11(17-9-14(20)16(21)15(12)17)8-13(19)10-4-2-1-3-5-10/h1-5,11-12,14-16,18,20-21H,6-9H2/t11-,12-,14-,15?,16-/m1/s1
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2.80 -48.8 30n/an/an/an/a5.7525



University of Toronto



Assay Description
Inhibition of dGMII was measured at pH 5.75. Determination of the IC50 values (concentrations of inhibitor at which 50% of activity remains) was car...


Chembiochem 11: 673-80 (2010)


Article DOI: 10.1002/cbic.200900750
BindingDB Entry DOI: 10.7270/Q2WS8RRM
More data for this
Ligand-Target Pair
Golgi alpha-mannosidase II


(Drosophila melanogaster (Fruit fly))
BDBM50168995
PNG
((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...)
Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O |r|
Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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3 -48.6 37n/an/an/an/a5.7525



University of Toronto



Assay Description
Inhibition of dGMII was measured at pH 5.75. Determination of the IC50 values (concentrations of inhibitor at which 50% of activity remains) was car...


Chembiochem 11: 673-80 (2010)


Article DOI: 10.1002/cbic.200900750
BindingDB Entry DOI: 10.7270/Q2WS8RRM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[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 3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[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 4n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCbeta2 (unknown origin)


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50249539
PNG
(5-((1S,2R)-2-aminocyclohexylamino)-7-(3,5-dimethox...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ncnc3c2C(N)=O)cc(OC)c1 |r|
Show InChI InChI=1S/C20H26N8O3/c1-30-12-7-11(8-13(9-12)31-2)25-18-16(17(22)29)19-23-10-24-28(19)20(27-18)26-15-6-4-3-5-14(15)21/h7-10,14-15,25H,3-6,21H2,1-2H3,(H2,22,29)(H,26,27)/t14-,15+/m1/s1
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Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50249539
PNG
(5-((1S,2R)-2-aminocyclohexylamino)-7-(3,5-dimethox...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ncnc3c2C(N)=O)cc(OC)c1 |r|
Show InChI InChI=1S/C20H26N8O3/c1-30-12-7-11(8-13(9-12)31-2)25-18-16(17(22)29)19-23-10-24-28(19)20(27-18)26-15-6-4-3-5-14(15)21/h7-10,14-15,25H,3-6,21H2,1-2H3,(H2,22,29)(H,26,27)/t14-,15+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50274756
PNG
(CHEMBL459146 | cis-5-(2-Aminocyclohexylamino)-7-(3...)
Show SMILES Cc1cc(C)cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)c1 |r|
Show InChI InChI=1S/C21H27N7O/c1-12-9-13(2)11-14(10-12)25-19-17(18(23)29)20-24-7-8-28(20)21(27-19)26-16-6-4-3-5-15(16)22/h7-11,15-16,25H,3-6,22H2,1-2H3,(H2,23,29)(H,26,27)/t15-,16+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50274673
PNG
(CHEMBL485204 | cis-5-(2-Aminocyclohexylamino)-7-(3...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)cc(OC)c1 |r|
Show InChI InChI=1S/C21H27N7O3/c1-30-13-9-12(10-14(11-13)31-2)25-19-17(18(23)29)20-24-7-8-28(20)21(27-19)26-16-6-4-3-5-15(16)22/h7-11,15-16,25H,3-6,22H2,1-2H3,(H2,23,29)(H,26,27)/t15-,16+/m1/s1
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Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50249254
PNG
(5-((1S,2R)-2-aminocyclohexylamino)-7-(3,5-dimethox...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3cnnc3c2C(N)=O)cc(OC)c1 |r|
Show InChI InChI=1S/C20H26N8O3/c1-30-12-7-11(8-13(9-12)31-2)24-18-16(17(22)29)19-27-23-10-28(19)20(26-18)25-15-6-4-3-5-14(15)21/h7-10,14-15,24H,3-6,21H2,1-2H3,(H2,22,29)(H,25,26)/t14-,15+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50249253
PNG
(5-(2-Aminoethylamino)-7-(3,5-dimethoxyphenylamino)...)
Show SMILES COc1cc(Nc2nc(NCCN)n3cnnc3c2C(N)=O)cc(OC)c1
Show InChI InChI=1S/C16H20N8O3/c1-26-10-5-9(6-11(7-10)27-2)21-14-12(13(18)25)15-23-20-8-24(15)16(22-14)19-4-3-17/h5-8,21H,3-4,17H2,1-2H3,(H2,18,25)(H,19,22)
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n/an/a 9n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[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 9n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50249254
PNG
(5-((1S,2R)-2-aminocyclohexylamino)-7-(3,5-dimethox...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3cnnc3c2C(N)=O)cc(OC)c1 |r|
Show InChI InChI=1S/C20H26N8O3/c1-30-12-7-11(8-13(9-12)31-2)24-18-16(17(22)29)19-27-23-10-28(19)20(26-18)25-15-6-4-3-5-14(15)21/h7-10,14-15,24H,3-6,21H2,1-2H3,(H2,22,29)(H,25,26)/t14-,15+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[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 18n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of Lck (unknown origin)


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
RocR


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50436161
PNG
(CHEMBL2398348)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@@H]2OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]2O1)n1cnc2c1nc(N)[nH]c2=O |r|
Show InChI InChI=1S/C20H24N10O12P2/c21-19-25-15-13(17(31)27-19)23-5-29(15)11-1-7-9(39-11)3-37-44(35,36)42-8-2-12(40-10(8)4-38-43(33,34)41-7)30-6-24-14-16(30)26-20(22)28-18(14)32/h5-12H,1-4H2,(H,33,34)(H,35,36)(H3,21,25,27,31)(H3,22,26,28,32)/t7-,8-,9+,10+,11+,12+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Competitive binding affinity to Pseudomonas aeruginosa PAO1 His6-tagged RocR expressed in Escherichia coli BL21 (DE3) after 5 mins in presence of [32...


Bioorg Med Chem 21: 4396-404 (2013)


Article DOI: 10.1016/j.bmc.2013.04.050
BindingDB Entry DOI: 10.7270/Q2251KK0
More data for this
Ligand-Target Pair
RocR


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50436163
PNG
(CHEMBL1231573)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2CO[P@@](O)(=O)O[C@@H]3[C@@H](CO[P@@](O)(=O)O[C@H]2[C@H]1O)O[C@H]([C@@H]3O)n1cnc2c1nc(N)[nH]c2=O |r|
Show InChI InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Competitive binding affinity to Pseudomonas aeruginosa PAO1 His6-tagged RocR expressed in Escherichia coli BL21 (DE3) after 5 mins in presence of [32...


Bioorg Med Chem 21: 4396-404 (2013)


Article DOI: 10.1016/j.bmc.2013.04.050
BindingDB Entry DOI: 10.7270/Q2251KK0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50274757
PNG
(5-((1S,2R)-2-Aminocyclohexylamino)-7-(3,5-dimethox...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3cc(nc3c2C(N)=O)-c2ccccc2)cc(OC)c1 |r|
Show InChI InChI=1S/C27H31N7O3/c1-36-18-12-17(13-19(14-18)37-2)30-25-23(24(29)35)26-31-22(16-8-4-3-5-9-16)15-34(26)27(33-25)32-21-11-7-6-10-20(21)28/h3-5,8-9,12-15,20-21,30H,6-7,10-11,28H2,1-2H3,(H2,29,35)(H,32,33)/t20-,21+/m1/s1
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Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50274712
PNG
(CHEMBL515054 | cis-5-(2-Aminocyclohexylamino)-7-(3...)
Show SMILES COc1cccc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)c1 |r|
Show InChI InChI=1S/C20H25N7O2/c1-29-13-6-4-5-12(11-13)24-18-16(17(22)28)19-23-9-10-27(19)20(26-18)25-15-8-3-2-7-14(15)21/h4-6,9-11,14-15,24H,2-3,7-8,21H2,1H3,(H2,22,28)(H,25,26)/t14-,15+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50274755
PNG
(CHEMBL458973 | cis-5-(2-Aminocyclohexylamino)-7-(3...)
Show SMILES N[C@@H]1CCCC[C@@H]1Nc1nc(Nc2cc(F)cc(F)c2)c(C(N)=O)c2nccn12 |r|
Show InChI InChI=1S/C19H21F2N7O/c20-10-7-11(21)9-12(8-10)25-17-15(16(23)29)18-24-5-6-28(18)19(27-17)26-14-4-2-1-3-13(14)22/h5-9,13-14,25H,1-4,22H2,(H2,23,29)(H,26,27)/t13-,14+/m1/s1
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Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50274757
PNG
(5-((1S,2R)-2-Aminocyclohexylamino)-7-(3,5-dimethox...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3cc(nc3c2C(N)=O)-c2ccccc2)cc(OC)c1 |r|
Show InChI InChI=1S/C27H31N7O3/c1-36-18-12-17(13-19(14-18)37-2)30-25-23(24(29)35)26-31-22(16-8-4-3-5-9-16)15-34(26)27(33-25)32-21-11-7-6-10-20(21)28/h3-5,8-9,12-15,20-21,30H,6-7,10-11,28H2,1-2H3,(H2,29,35)(H,32,33)/t20-,21+/m1/s1
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Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ZAP70 expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50249319
PNG
(2-(2-aminoethylamino)-4-(3-(trifluoromethyl)phenyl...)
Show SMILES NCCNc1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23)
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n/an/a 41n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Golgi alpha-mannosidase II


(Drosophila melanogaster (Fruit fly))
BDBM84871
PNG
(Swainsonine derivative, 6)
Show SMILES CC(C)(C)c1ccc(CC[C@H]2CC[C@@H](O)C3[C@H](O)[C@H](O)CN23)cc1 |r|
Show InChI InChI=1S/C20H31NO3/c1-20(2,3)14-7-4-13(5-8-14)6-9-15-10-11-16(22)18-19(24)17(23)12-21(15)18/h4-5,7-8,15-19,22-24H,6,9-12H2,1-3H3/t15-,16+,17+,18?,19+/m0/s1
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n/an/a 44n/an/an/an/a5.7525



University of Toronto



Assay Description
Inhibition of dGMII was measured at pH 5.75. Determination of the IC50 values (concentrations of inhibitor at which 50% of activity remains) was car...


Chembiochem 11: 673-80 (2010)


Article DOI: 10.1002/cbic.200900750
BindingDB Entry DOI: 10.7270/Q2WS8RRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM26429
PNG
((2E)-3-{4-[({8-carbamoyl-7-[(3,5-dimethoxyphenyl)a...)
Show SMILES COc1cc(Nc2nc(NCc3ccc(\C=C\C(O)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
Show InChI InChI=1S/C25H24N6O5/c1-35-18-11-17(12-19(13-18)36-2)29-23-21(22(26)34)24-27-9-10-31(24)25(30-23)28-14-16-5-3-15(4-6-16)7-8-20(32)33/h3-13,29H,14H2,1-2H3,(H2,26,34)(H,28,30)(H,32,33)/b8-7+
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n/an/a 47n/an/an/an/a7.630



Kissei Pharmaceutical Company



Assay Description
A coupled spectrophotometric assay was used wherein ADP generated by ZAP-70 kinase was converted to ATP by pyruvate kinase (PK), with concomitant pro...


Bioorg Med Chem 17: 284-94 (2009)


Article DOI: 10.1016/j.bmc.2008.10.070
BindingDB Entry DOI: 10.7270/Q2FQ9TXB
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50263121
PNG
(CHEMBL472840 | cis-5-(2-Aminocyclohexylamino)-7-(3...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3nc(nc3c2C(N)=O)-c2ccccc2Cl)cc(OC)c1 |r|
Show InChI InChI=1S/C26H29ClN8O3/c1-37-15-11-14(12-16(13-15)38-2)30-24-21(22(29)36)25-32-23(17-7-3-4-8-18(17)27)34-35(25)26(33-24)31-20-10-6-5-9-19(20)28/h3-4,7-8,11-13,19-20,30H,5-6,9-10,28H2,1-2H3,(H2,29,36)(H,31,33)/t19-,20+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[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 53n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ZAP70


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[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 53n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ZAP70 expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50263119
PNG
(CHEMBL478642 | cis-5-(2-Aminocyclohexylamino)-7-(3...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3nc(nc3c2C(N)=O)-c2ccccc2)cc(OC)c1 |r|
Show InChI InChI=1S/C26H30N8O3/c1-36-17-12-16(13-18(14-17)37-2)29-24-21(22(28)35)25-31-23(15-8-4-3-5-9-15)33-34(25)26(32-24)30-20-11-7-6-10-19(20)27/h3-5,8-9,12-14,19-20,29H,6-7,10-11,27H2,1-2H3,(H2,28,35)(H,30,32)/t19-,20+/m1/s1
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n/an/a 83n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM26428
PNG
(ethyl (2E)-3-{4-[({8-carbamoyl-7-[(3,5-dimethoxyph...)
Show SMILES CCOC(=O)\C=C\c1ccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)cc1
Show InChI InChI=1S/C27H28N6O5/c1-4-38-22(34)10-9-17-5-7-18(8-6-17)16-30-27-32-25(23(24(28)35)26-29-11-12-33(26)27)31-19-13-20(36-2)15-21(14-19)37-3/h5-15,31H,4,16H2,1-3H3,(H2,28,35)(H,30,32)/b10-9+
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n/an/a 88n/an/an/an/a7.630



Kissei Pharmaceutical Company



Assay Description
A coupled spectrophotometric assay was used wherein ADP generated by ZAP-70 kinase was converted to ATP by pyruvate kinase (PK), with concomitant pro...


Bioorg Med Chem 17: 284-94 (2009)


Article DOI: 10.1016/j.bmc.2008.10.070
BindingDB Entry DOI: 10.7270/Q2FQ9TXB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50274713
PNG
(CHEMBL457519 | cis-5-(2-Aminocyclohexylamino)-7-(4...)
Show SMILES COc1ccc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)cc1 |r|
Show InChI InChI=1S/C20H25N7O2/c1-29-13-8-6-12(7-9-13)24-18-16(17(22)28)19-23-10-11-27(19)20(26-18)25-15-5-3-2-4-14(15)21/h6-11,14-15,24H,2-5,21H2,1H3,(H2,22,28)(H,25,26)/t14-,15+/m1/s1
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n/an/a 92n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50263121
PNG
(CHEMBL472840 | cis-5-(2-Aminocyclohexylamino)-7-(3...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3nc(nc3c2C(N)=O)-c2ccccc2Cl)cc(OC)c1 |r|
Show InChI InChI=1S/C26H29ClN8O3/c1-37-15-11-14(12-16(13-15)38-2)30-24-21(22(29)36)25-32-23(17-7-3-4-8-18(17)27)34-35(25)26(33-24)31-20-10-6-5-9-19(20)28/h3-4,7-8,11-13,19-20,30H,5-6,9-10,28H2,1-2H3,(H2,29,36)(H,31,33)/t19-,20+/m1/s1
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n/an/a 97n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ZAP70


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50263119
PNG
(CHEMBL478642 | cis-5-(2-Aminocyclohexylamino)-7-(3...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3nc(nc3c2C(N)=O)-c2ccccc2)cc(OC)c1 |r|
Show InChI InChI=1S/C26H30N8O3/c1-36-17-12-16(13-18(14-17)37-2)29-24-21(22(28)35)25-31-23(15-8-4-3-5-9-15)33-34(25)26(32-24)30-20-11-7-6-10-19(20)27/h3-5,8-9,12-14,19-20,29H,6-7,10-11,27H2,1-2H3,(H2,28,35)(H,30,32)/t19-,20+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ZAP70


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50263120
PNG
(CHEMBL475882 | cis-5-(2-Aminocyclohexylamino)-7-(3...)
Show SMILES COc1cccc(c1)-c1nc2c(C(N)=O)c(Nc3cc(OC)cc(OC)c3)nc(N[C@H]3CCCC[C@H]3N)n2n1 |r|
Show InChI InChI=1S/C27H32N8O4/c1-37-17-8-6-7-15(11-17)24-32-26-22(23(29)36)25(30-16-12-18(38-2)14-19(13-16)39-3)33-27(35(26)34-24)31-21-10-5-4-9-20(21)28/h6-8,11-14,20-21,30H,4-5,9-10,28H2,1-3H3,(H2,29,36)(H,31,33)/t20-,21+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50249254
PNG
(5-((1S,2R)-2-aminocyclohexylamino)-7-(3,5-dimethox...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3cnnc3c2C(N)=O)cc(OC)c1 |r|
Show InChI InChI=1S/C20H26N8O3/c1-30-12-7-11(8-13(9-12)31-2)24-18-16(17(22)29)19-27-23-10-28(19)20(26-18)25-15-6-4-3-5-14(15)21/h7-10,14-15,24H,3-6,21H2,1-2H3,(H2,22,29)(H,25,26)/t14-,15+/m1/s1
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Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ZAP70 expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50263120
PNG
(CHEMBL475882 | cis-5-(2-Aminocyclohexylamino)-7-(3...)
Show SMILES COc1cccc(c1)-c1nc2c(C(N)=O)c(Nc3cc(OC)cc(OC)c3)nc(N[C@H]3CCCC[C@H]3N)n2n1 |r|
Show InChI InChI=1S/C27H32N8O4/c1-37-17-8-6-7-15(11-17)24-32-26-22(23(29)36)25(30-16-12-18(38-2)14-19(13-16)39-3)33-27(35(26)34-24)31-21-10-5-4-9-20(21)28/h6-8,11-14,20-21,30H,4-5,9-10,28H2,1-3H3,(H2,29,36)(H,31,33)/t20-,21+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ZAP70


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50249254
PNG
(5-((1S,2R)-2-aminocyclohexylamino)-7-(3,5-dimethox...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3cnnc3c2C(N)=O)cc(OC)c1 |r|
Show InChI InChI=1S/C20H26N8O3/c1-30-12-7-11(8-13(9-12)31-2)24-18-16(17(22)29)19-27-23-10-28(19)20(26-18)25-15-6-4-3-5-14(15)21/h7-10,14-15,24H,3-6,21H2,1-2H3,(H2,22,29)(H,25,26)/t14-,15+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ZAP70


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50263040
PNG
(5-(2-Amino-2-methylpropylamino)-7-(3,5-dimethoxyph...)
Show SMILES COc1cc(Nc2nc(NCC(C)(C)N)n3cnnc3c2C(N)=O)cc(OC)c1
Show InChI InChI=1S/C18H24N8O3/c1-18(2,20)8-21-17-24-15(13(14(19)27)16-25-22-9-26(16)17)23-10-5-11(28-3)7-12(6-10)29-4/h5-7,9,23H,8,20H2,1-4H3,(H2,19,27)(H,21,24)
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n/an/a 150n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM26415
PNG
(5-{[(2,4-difluorophenyl)methyl]amino}-7-[(3,5-dime...)
Show SMILES COc1cc(Nc2nc(NCc3ccc(F)cc3F)n3ccnc3c2C(N)=O)cc(OC)c1
Show InChI InChI=1S/C22H20F2N6O3/c1-32-15-8-14(9-16(10-15)33-2)28-20-18(19(25)31)21-26-5-6-30(21)22(29-20)27-11-12-3-4-13(23)7-17(12)24/h3-10,28H,11H2,1-2H3,(H2,25,31)(H,27,29)
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n/an/a 150n/an/an/an/a7.630



Kissei Pharmaceutical Company



Assay Description
A coupled spectrophotometric assay was used wherein ADP generated by ZAP-70 kinase was converted to ATP by pyruvate kinase (PK), with concomitant pro...


Bioorg Med Chem 17: 284-94 (2009)


Article DOI: 10.1016/j.bmc.2008.10.070
BindingDB Entry DOI: 10.7270/Q2FQ9TXB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM26419
PNG
(7-[(3,5-dimethoxyphenyl)amino]-5-{[(4-sulfamoylphe...)
Show SMILES COc1cc(Nc2nc(NCc3ccc(cc3)S(N)(=O)=O)n3ccnc3c2C(N)=O)cc(OC)c1
Show InChI InChI=1S/C22H23N7O5S/c1-33-15-9-14(10-16(11-15)34-2)27-20-18(19(23)30)21-25-7-8-29(21)22(28-20)26-12-13-3-5-17(6-4-13)35(24,31)32/h3-11,27H,12H2,1-2H3,(H2,23,30)(H,26,28)(H2,24,31,32)
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Kissei Pharmaceutical Company



Assay Description
A coupled spectrophotometric assay was used wherein ADP generated by ZAP-70 kinase was converted to ATP by pyruvate kinase (PK), with concomitant pro...


Bioorg Med Chem 17: 284-94 (2009)


Article DOI: 10.1016/j.bmc.2008.10.070
BindingDB Entry DOI: 10.7270/Q2FQ9TXB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50274758
PNG
(5-(2-Amino-2-methylpropylamino)-7-(3,5-dimethoxyph...)
Show SMILES COc1cc(Nc2nc(NCC(C)(C)N)n3cc(nc3c2C(N)=O)-c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C25H29N7O3/c1-25(2,27)14-28-24-31-22(29-16-10-17(34-3)12-18(11-16)35-4)20(21(26)33)23-30-19(13-32(23)24)15-8-6-5-7-9-15/h5-13,29H,14,27H2,1-4H3,(H2,26,33)(H,28,31)
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Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ZAP70 expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50249254
PNG
(5-((1S,2R)-2-aminocyclohexylamino)-7-(3,5-dimethox...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3cnnc3c2C(N)=O)cc(OC)c1 |r|
Show InChI InChI=1S/C20H26N8O3/c1-30-12-7-11(8-13(9-12)31-2)24-18-16(17(22)29)19-27-23-10-28(19)20(26-18)25-15-6-4-3-5-14(15)21/h7-10,14-15,24H,3-6,21H2,1-2H3,(H2,22,29)(H,25,26)/t14-,15+/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of Lck (unknown origin)


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM26422
PNG
(4-[({8-carbamoyl-7-[(3,5-dimethoxyphenyl)amino]imi...)
Show SMILES COc1cc(Nc2nc(NCc3ccc(cc3)C(O)=O)n3ccnc3c2C(N)=O)cc(OC)c1
Show InChI InChI=1S/C23H22N6O5/c1-33-16-9-15(10-17(11-16)34-2)27-20-18(19(24)30)21-25-7-8-29(21)23(28-20)26-12-13-3-5-14(6-4-13)22(31)32/h3-11,27H,12H2,1-2H3,(H2,24,30)(H,26,28)(H,31,32)
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n/an/a 180n/an/an/an/a7.630



Kissei Pharmaceutical Company



Assay Description
A coupled spectrophotometric assay was used wherein ADP generated by ZAP-70 kinase was converted to ATP by pyruvate kinase (PK), with concomitant pro...


Bioorg Med Chem 17: 284-94 (2009)


Article DOI: 10.1016/j.bmc.2008.10.070
BindingDB Entry DOI: 10.7270/Q2FQ9TXB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM26420
PNG
(7-[(3,5-dimethoxyphenyl)amino]-5-{[(4-methanesulfo...)
Show SMILES COc1cc(Nc2nc(NCc3ccc(cc3)S(C)(=O)=O)n3ccnc3c2C(N)=O)cc(OC)c1
Show InChI InChI=1S/C23H24N6O5S/c1-33-16-10-15(11-17(12-16)34-2)27-21-19(20(24)30)22-25-8-9-29(22)23(28-21)26-13-14-4-6-18(7-5-14)35(3,31)32/h4-12,27H,13H2,1-3H3,(H2,24,30)(H,26,28)
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n/an/a 190n/an/an/an/a7.630



Kissei Pharmaceutical Company



Assay Description
A coupled spectrophotometric assay was used wherein ADP generated by ZAP-70 kinase was converted to ATP by pyruvate kinase (PK), with concomitant pro...


Bioorg Med Chem 17: 284-94 (2009)


Article DOI: 10.1016/j.bmc.2008.10.070
BindingDB Entry DOI: 10.7270/Q2FQ9TXB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM26418
PNG
(5-[(1H-1,3-benzodiazol-2-ylmethyl)amino]-7-[(3,5-d...)
Show SMILES COc1cc(Nc2nc(NCc3nc4ccccc4[nH]3)n3ccnc3c2C(N)=O)cc(OC)c1
Show InChI InChI=1S/C23H22N8O3/c1-33-14-9-13(10-15(11-14)34-2)27-21-19(20(24)32)22-25-7-8-31(22)23(30-21)26-12-18-28-16-5-3-4-6-17(16)29-18/h3-11,27H,12H2,1-2H3,(H2,24,32)(H,26,30)(H,28,29)
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Kissei Pharmaceutical Company



Assay Description
A coupled spectrophotometric assay was used wherein ADP generated by ZAP-70 kinase was converted to ATP by pyruvate kinase (PK), with concomitant pro...


Bioorg Med Chem 17: 284-94 (2009)


Article DOI: 10.1016/j.bmc.2008.10.070
BindingDB Entry DOI: 10.7270/Q2FQ9TXB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM26410
PNG
(7-[(3,5-dimethoxyphenyl)amino]-5-{[(4-fluorophenyl...)
Show SMILES COc1cc(Nc2nc(NCc3ccc(F)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
Show InChI InChI=1S/C22H21FN6O3/c1-31-16-9-15(10-17(11-16)32-2)27-20-18(19(24)30)21-25-7-8-29(21)22(28-20)26-12-13-3-5-14(23)6-4-13/h3-11,27H,12H2,1-2H3,(H2,24,30)(H,26,28)
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n/an/a 220n/an/an/an/a7.630



Kissei Pharmaceutical Company



Assay Description
A coupled spectrophotometric assay was used wherein ADP generated by ZAP-70 kinase was converted to ATP by pyruvate kinase (PK), with concomitant pro...


Bioorg Med Chem 17: 284-94 (2009)


Article DOI: 10.1016/j.bmc.2008.10.070
BindingDB Entry DOI: 10.7270/Q2FQ9TXB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM26404
PNG
(5-[(2-aminoethyl)amino]-7-[(3,5-dimethoxyphenyl)am...)
Show SMILES COc1cc(Nc2nc(NCCN)n3ccnc3c2C(N)=O)cc(OC)c1
Show InChI InChI=1S/C17H21N7O3/c1-26-11-7-10(8-12(9-11)27-2)22-15-13(14(19)25)16-20-5-6-24(16)17(23-15)21-4-3-18/h5-9,22H,3-4,18H2,1-2H3,(H2,19,25)(H,21,23)
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n/an/a 230n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM26404
PNG
(5-[(2-aminoethyl)amino]-7-[(3,5-dimethoxyphenyl)am...)
Show SMILES COc1cc(Nc2nc(NCCN)n3ccnc3c2C(N)=O)cc(OC)c1
Show InChI InChI=1S/C17H21N7O3/c1-26-11-7-10(8-12(9-11)27-2)22-15-13(14(19)25)16-20-5-6-24(16)17(23-15)21-4-3-18/h5-9,22H,3-4,18H2,1-2H3,(H2,19,25)(H,21,23)
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Kissei Pharmaceutical Company



Assay Description
A coupled spectrophotometric assay was used, wherein ADP generated by Syk kinase was converted to ATP by pyruvate kinase (PK), with concomitant produ...


Bioorg Med Chem 17: 284-94 (2009)


Article DOI: 10.1016/j.bmc.2008.10.070
BindingDB Entry DOI: 10.7270/Q2FQ9TXB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50274673
PNG
(CHEMBL485204 | cis-5-(2-Aminocyclohexylamino)-7-(3...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)cc(OC)c1 |r|
Show InChI InChI=1S/C21H27N7O3/c1-30-13-9-12(10-14(11-13)31-2)25-19-17(18(23)29)20-24-7-8-28(20)21(27-19)26-16-6-4-3-5-15(16)22/h7-11,15-16,25H,3-6,22H2,1-2H3,(H2,23,29)(H,26,27)/t15-,16+/m1/s1
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Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ZAP70 expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM26411
PNG
(7-[(3,5-dimethoxyphenyl)amino]-5-{[(4-methoxypheny...)
Show SMILES COc1ccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)cc1
Show InChI InChI=1S/C23H24N6O4/c1-31-16-6-4-14(5-7-16)13-26-23-28-21(19(20(24)30)22-25-8-9-29(22)23)27-15-10-17(32-2)12-18(11-15)33-3/h4-12,27H,13H2,1-3H3,(H2,24,30)(H,26,28)
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Kissei Pharmaceutical Company



Assay Description
A coupled spectrophotometric assay was used wherein ADP generated by ZAP-70 kinase was converted to ATP by pyruvate kinase (PK), with concomitant pro...


Bioorg Med Chem 17: 284-94 (2009)


Article DOI: 10.1016/j.bmc.2008.10.070
BindingDB Entry DOI: 10.7270/Q2FQ9TXB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM26426
PNG
(2-{4-[({8-carbamoyl-7-[(3,5-dimethoxyphenyl)amino]...)
Show SMILES COc1cc(Nc2nc(NCc3ccc(CC(O)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
Show InChI InChI=1S/C24H24N6O5/c1-34-17-10-16(11-18(12-17)35-2)28-22-20(21(25)33)23-26-7-8-30(23)24(29-22)27-13-15-5-3-14(4-6-15)9-19(31)32/h3-8,10-12,28H,9,13H2,1-2H3,(H2,25,33)(H,27,29)(H,31,32)
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Kissei Pharmaceutical Company



Assay Description
A coupled spectrophotometric assay was used wherein ADP generated by ZAP-70 kinase was converted to ATP by pyruvate kinase (PK), with concomitant pro...


Bioorg Med Chem 17: 284-94 (2009)


Article DOI: 10.1016/j.bmc.2008.10.070
BindingDB Entry DOI: 10.7270/Q2FQ9TXB
More data for this
Ligand-Target Pair
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