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Compile Data Set for Download or QSAR

Found 237 hits with Last Name = 'nguyen' and Initial = 'tn'   
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
Sialidase


(Clostridium perfringens)
BDBM50311581
PNG
(CHEMBL1086764 | erysubin E)
Show SMILES CC(C)=CCc1cc2[C@@H]3Oc4c(ccc5OC(C)(C)C=Cc45)[C@]3(O)COc2cc1O
Show InChI InChI=1S/C25H26O5/c1-14(2)5-6-15-11-17-21(12-19(15)26)28-13-25(27)18-7-8-20-16(22(18)29-23(17)25)9-10-24(3,4)30-20/h5,7-12,23,26-27H,6,13H2,1-4H3/t23-,25+/m0/s1
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240n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317430
PNG
(CHEMBL454849 | Erythrabyssin I | cristacarpin | cr...)
Show SMILES COc1ccc2c(O[C@H]3c4ccc(O)cc4OC[C@@]23O)c1CC=C(C)C
Show InChI InChI=1S/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3/t20-,21+/m0/s1
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310n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317435
PNG
(CHEMBL1096406 | Erythribyssin O)
Show SMILES CC(C)=CCc1c(O)ccc2c3COc4cc(O)c(C=O)cc4-c3oc12
Show InChI InChI=1S/C21H18O5/c1-11(2)3-4-14-17(23)6-5-13-16-10-25-19-8-18(24)12(9-22)7-15(19)21(16)26-20(13)14/h3,5-9,23-24H,4,10H2,1-2H3
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1.21E+3n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50311583
PNG
(Abyssinone II | CHEMBL508534 | phaseolidin | phase...)
Show SMILES CC(C)=CCc1c2O[C@@H]3[C@@H](COc4cc(O)ccc34)c2ccc1O
Show InChI InChI=1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/m0/s1
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1.78E+3n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50311586
PNG
(CHEMBL1088462 | erystagallin A)
Show SMILES COc1ccc2c(O[C@H]3c4cc(CC=C(C)C)c(O)cc4OC[C@@]23O)c1CC=C(C)C
Show InChI InChI=1S/C26H30O5/c1-15(2)6-8-17-12-19-23(13-21(17)27)30-14-26(28)20-10-11-22(29-5)18(9-7-16(3)4)24(20)31-25(19)26/h6-7,10-13,25,27-28H,8-9,14H2,1-5H3/t25-,26+/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317436
PNG
(CHEMBL1096407 | calopocarpin)
Show SMILES CC(C)=CCc1cc2[C@@H]3Oc4cc(O)ccc4[C@@H]3COc2cc1O
Show InChI InChI=1S/C20H20O4/c1-11(2)3-4-12-7-15-18(9-17(12)22)23-10-16-14-6-5-13(21)8-19(14)24-20(15)16/h3,5-9,16,20-22H,4,10H2,1-2H3/t16-,20-/m0/s1
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2.09E+3n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317434
PNG
(CHEMBL1097045 | eryvarin D)
Show SMILES COc1ccc2c3COc4cc(O)ccc4-c3oc2c1CC=C(C)C
Show InChI InChI=1S/C21H20O4/c1-12(2)4-6-15-18(23-3)9-8-14-17-11-24-19-10-13(22)5-7-16(19)21(17)25-20(14)15/h4-5,7-10,22H,6,11H2,1-3H3
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2.55E+3n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317431
PNG
(CHEMBL1098413 | demethylmedicarpin)
Show SMILES Oc1ccc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2c1
Show InChI InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2/t12-,15-/m0/s1
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3.83E+3n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317437
PNG
(CHEMBL1096408 | Erythribyssin L)
Show SMILES CC(C)=CCc1c2O[C@@H]3[C@@H](COc4cc5OC(C)(C)C(O)Cc5cc34)c2ccc1O
Show InChI InChI=1S/C25H28O5/c1-13(2)5-6-16-19(26)8-7-15-18-12-28-21-11-20-14(10-22(27)25(3,4)30-20)9-17(21)24(18)29-23(15)16/h5,7-9,11,18,22,24,26-27H,6,10,12H2,1-4H3/t18-,22?,24-/m0/s1
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4.13E+3n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317438
PNG
(Abyssinone I | CHEMBL448350 | phaseollin)
Show SMILES CC1(C)Oc2ccc3[C@@H]4COc5cc(O)ccc5[C@@H]4Oc3c2C=C1
Show InChI InChI=1S/C20H18O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1
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4.84E+3n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317433
PNG
(CHEMBL1098729 | isoneorautenol)
Show SMILES CC1(C)Oc2cc3O[C@@H]4[C@@H](COc5cc(O)ccc45)c3cc2C=C1
Show InChI InChI=1S/C20H18O4/c1-20(2)6-5-11-7-14-15-10-22-17-8-12(21)3-4-13(17)19(15)23-18(14)9-16(11)24-20/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1
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1.10E+4n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317439
PNG
(CHEMBL1095422 | erysubin D)
Show SMILES CC(C)=CCc1cc2[C@@H]3Oc4c(ccc5OC(C)(C)C(O)Cc45)[C@@H]3COc2cc1O
Show InChI InChI=1S/C25H28O5/c1-13(2)5-6-14-9-16-21(11-19(14)26)28-12-18-15-7-8-20-17(23(15)29-24(16)18)10-22(27)25(3,4)30-20/h5,7-9,11,18,22,24,26-27H,6,10,12H2,1-4H3/t18-,22?,24-/m0/s1
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1.52E+4n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50317432
PNG
(CHEMBL1098728 | NEORAUTENOL)
Show SMILES CC1(C)Oc2cc3OC[C@@H]4[C@@H](Oc5cc(O)ccc45)c3cc2C=C1
Show InChI InChI=1S/C20H18O4/c1-20(2)6-5-11-7-14-17(9-16(11)24-20)22-10-15-13-4-3-12(21)8-18(13)23-19(14)15/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1
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2.17E+4n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Clostridium perfringens neuraminidase


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107037
PNG
(US8592432, 11)
Show SMILES CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)CN(C)C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C2CCC2)n1
Show InChI InChI=1S/C34H42ClN7O5S/c1-21(2)47-29-16-22-19-42(23-12-14-41(15-13-23)31(43)20-40(3)4)33(44)25(22)17-28(29)38-34-36-18-26(35)32(39-34)37-27-10-5-6-11-30(27)48(45,46)24-8-7-9-24/h5-6,10-11,16-18,21,23-24H,7-9,12-15,19-20H2,1-4H3,(H2,36,37,38,39)
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n/an/a 2n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107065
PNG
(US8592432, 49)
Show SMILES COc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Show InChI InChI=1S/C29H37N7O3S/c1-17(2)40(37,38)25-10-8-7-9-22(25)30-27-26-19(4)34-35-28(26)33-29(32-27)31-23-15-18(3)21(16-24(23)39-6)20-11-13-36(5)14-12-20/h7-10,15-17,20H,11-14H2,1-6H3,(H3,30,31,32,33,34,35)
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TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107045
PNG
(US8592432, 20)
Show SMILES COc1cc2CN(C3CN(C3)C(=O)[C@@H]3CCCN3C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C31H36ClN7O5S/c1-18(2)45(42,43)27-10-6-5-8-23(27)34-28-22(32)14-33-31(36-28)35-24-13-21-19(12-26(24)44-4)15-39(29(21)40)20-16-38(17-20)30(41)25-9-7-11-37(25)3/h5-6,8,10,12-14,18,20,25H,7,9,11,15-17H2,1-4H3,(H2,33,34,35,36)/t25-/m0/s1
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TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107039
PNG
(US8592432, 14)
Show SMILES CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)C3CCCN3C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C35H44ClN7O5S/c1-21(2)48-30-17-23-20-43(24-12-15-42(16-13-24)34(45)29-10-8-14-41(29)5)33(44)25(23)18-28(30)39-35-37-19-26(36)32(40-35)38-27-9-6-7-11-31(27)49(46,47)22(3)4/h6-7,9,11,17-19,21-22,24,29H,8,10,12-16,20H2,1-5H3,(H2,37,38,39,40)
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TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107049
PNG
(US8592432, 25)
Show SMILES COc1cc(C2CCN(CC2)C(=O)CN(C)C)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Show InChI InChI=1S/C32H42N8O4S/c1-19(2)45(42,43)27-11-9-8-10-24(27)33-30-29-21(4)37-38-31(29)36-32(35-30)34-25-16-20(3)23(17-26(25)44-7)22-12-14-40(15-13-22)28(41)18-39(5)6/h8-11,16-17,19,22H,12-15,18H2,1-7H3,(H3,33,34,35,36,37,38)
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TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107035
PNG
(US8592432, 9)
Show SMILES CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)CN(C)C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C33H42ClN7O5S/c1-20(2)46-28-15-22-18-41(23-11-13-40(14-12-23)30(42)19-39(5)6)32(43)24(22)16-27(28)37-33-35-17-25(34)31(38-33)36-26-9-7-8-10-29(26)47(44,45)21(3)4/h7-10,15-17,20-21,23H,11-14,18-19H2,1-6H3,(H2,35,36,37,38)
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TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107043
PNG
(US8592432, 18)
Show SMILES COc1cc2CN(C3CN(C3)C(=O)CN(C)C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C29H34ClN7O5S/c1-17(2)43(40,41)25-9-7-6-8-22(25)32-27-21(30)12-31-29(34-27)33-23-11-20-18(10-24(23)42-5)13-37(28(20)39)19-14-36(15-19)26(38)16-35(3)4/h6-12,17,19H,13-16H2,1-5H3,(H2,31,32,33,34)
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n/an/a 6n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107085
PNG
(US8592432, 79)
Show SMILES CC(C)Oc1cc(C2CCN(CCO)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)c[nH]c2n1
Show InChI InChI=1S/C33H44N6O4S/c1-20(2)43-28-18-25(24-11-13-39(14-12-24)15-16-40)22(5)17-27(28)36-33-37-31-30(23(6)19-34-31)32(38-33)35-26-9-7-8-10-29(26)44(41,42)21(3)4/h7-10,17-21,24,40H,11-16H2,1-6H3,(H3,34,35,36,37,38)
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n/an/a 6n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107078
PNG
(US8592432, 64)
Show SMILES COc1cc(C2CCOCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Show InChI InChI=1S/C28H34N6O4S/c1-16(2)39(35,36)24-9-7-6-8-21(24)29-26-25-18(4)33-34-27(25)32-28(31-26)30-22-14-17(3)20(15-23(22)37-5)19-10-12-38-13-11-19/h6-9,14-16,19H,10-13H2,1-5H3,(H3,29,30,31,32,33,34)
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n/an/a 6n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107083
PNG
(US8592432, 69)
Show SMILES CC(C)Oc1cc(C2CCN(CC(N)=O)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)c[nH]c2n1
Show InChI InChI=1S/C33H43N7O4S/c1-19(2)44-27-16-24(23-11-13-40(14-12-23)18-29(34)41)21(5)15-26(27)37-33-38-31-30(22(6)17-35-31)32(39-33)36-25-9-7-8-10-28(25)45(42,43)20(3)4/h7-10,15-17,19-20,23H,11-14,18H2,1-6H3,(H2,34,41)(H3,35,36,37,38,39)
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n/an/a 7n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107050
PNG
(US8592432, 26)
Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)CN(C)C)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Show InChI InChI=1S/C34H46N8O4S/c1-20(2)46-28-18-25(24-13-15-42(16-14-24)30(43)19-41(7)8)22(5)17-27(28)36-34-37-32(31-23(6)39-40-33(31)38-34)35-26-11-9-10-12-29(26)47(44,45)21(3)4/h9-12,17-18,20-21,24H,13-16,19H2,1-8H3,(H3,35,36,37,38,39,40)
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n/an/a 7n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107029
PNG
(US8592432, 2)
Show SMILES COc1cc(C2CCN(CC2)C(=O)CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C30H39ClN6O4S/c1-19(2)42(39,40)27-10-8-7-9-24(27)33-29-23(31)17-32-30(35-29)34-25-15-20(3)22(16-26(25)41-6)21-11-13-37(14-12-21)28(38)18-36(4)5/h7-10,15-17,19,21H,11-14,18H2,1-6H3,(H2,32,33,34,35)
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n/an/a 8n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107084
PNG
(US8592432, 76)
Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)c[nH]c2n1
Show InChI InChI=1S/C32H42N6O3S/c1-19(2)41-27-17-24(23-12-14-38(7)15-13-23)21(5)16-26(27)35-32-36-30-29(22(6)18-33-30)31(37-32)34-25-10-8-9-11-28(25)42(39,40)20(3)4/h8-11,16-20,23H,12-15H2,1-7H3,(H3,33,34,35,36,37)
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n/an/a 9n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107075
PNG
(US8592432, 61)
Show SMILES CCN1CCC(C1)c1ccc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)cc1
Show InChI InChI=1S/C27H33N7O2S/c1-5-34-15-14-20(16-34)19-10-12-21(13-11-19)28-27-30-25(24-18(4)32-33-26(24)31-27)29-22-8-6-7-9-23(22)37(35,36)17(2)3/h6-13,17,20H,5,14-16H2,1-4H3,(H3,28,29,30,31,32,33)
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n/an/a 10n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107060
PNG
(US8592432, 37)
Show SMILES CC(C)Oc1cc(C2CCN(CCO)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Show InChI InChI=1S/C32H43N7O4S/c1-19(2)43-27-18-24(23-11-13-39(14-12-23)15-16-40)21(5)17-26(27)34-32-35-30(29-22(6)37-38-31(29)36-32)33-25-9-7-8-10-28(25)44(41,42)20(3)4/h7-10,17-20,23,40H,11-16H2,1-6H3,(H3,33,34,35,36,37,38)
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n/an/a 11n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107061
PNG
(US8592432, 38)
Show SMILES COCCN1CCC(CC1)c1cc(OC(C)C)c(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)cc1C
Show InChI InChI=1S/C33H45N7O4S/c1-20(2)44-28-19-25(24-12-14-40(15-13-24)16-17-43-7)22(5)18-27(28)35-33-36-31(30-23(6)38-39-32(30)37-33)34-26-10-8-9-11-29(26)45(41,42)21(3)4/h8-11,18-21,24H,12-17H2,1-7H3,(H3,34,35,36,37,38,39)
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n/an/a 12n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107044
PNG
(US8592432, 19)
Show SMILES COc1cc2CN(C3CN(C3)C(=O)[C@@H]3CCCN3)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C30H34ClN7O5S/c1-17(2)44(41,42)26-9-5-4-7-22(26)34-27-21(31)13-33-30(36-27)35-24-12-20-18(11-25(24)43-3)14-38(28(20)39)19-15-37(16-19)29(40)23-8-6-10-32-23/h4-5,7,9,11-13,17,19,23,32H,6,8,10,14-16H2,1-3H3,(H2,33,34,35,36)/t23-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107066
PNG
(US8592432, 50)
Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Show InChI InChI=1S/C28H35N7O3S/c1-16(2)39(36,37)24-9-7-6-8-21(24)30-26-25-18(4)34-35-27(25)33-28(32-26)31-22-14-17(3)20(15-23(22)38-5)19-10-12-29-13-11-19/h6-9,14-16,19,29H,10-13H2,1-5H3,(H3,30,31,32,33,34,35)
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n/an/a 12n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107042
PNG
(US8592432, 17)
Show SMILES CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)C3CN(C)C3)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C34H42ClN7O5S/c1-20(2)47-29-14-22-19-42(24-10-12-41(13-11-24)32(43)23-17-40(5)18-23)33(44)25(22)15-28(29)38-34-36-16-26(35)31(39-34)37-27-8-6-7-9-30(27)48(45,46)21(3)4/h6-9,14-16,20-21,23-24H,10-13,17-19H2,1-5H3,(H2,36,37,38,39)
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n/an/a 12n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107046
PNG
(US8592432, 21)
Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)CN(C)C)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c[nH]nc2n1
Show InChI InChI=1S/C33H44N8O4S/c1-20(2)45-28-17-24(23-12-14-41(15-13-23)30(42)19-40(6)7)22(5)16-27(28)36-33-37-31(25-18-34-39-32(25)38-33)35-26-10-8-9-11-29(26)46(43,44)21(3)4/h8-11,16-18,20-21,23H,12-15,19H2,1-7H3,(H3,34,35,36,37,38,39)
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n/an/a 13n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107033
PNG
(US8592432, 7)
Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)[C@@H]2CCCN2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C33H43ClN6O4S/c1-20(2)44-29-18-24(23-12-15-40(16-13-23)32(41)27-10-8-14-35-27)22(5)17-28(29)38-33-36-19-25(34)31(39-33)37-26-9-6-7-11-30(26)45(42,43)21(3)4/h6-7,9,11,17-21,23,27,35H,8,10,12-16H2,1-5H3,(H2,36,37,38,39)/t27-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107058
PNG
(US8592432, 35)
Show SMILES CC(C)Oc1cc(C2CCN(CC(N)=O)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Show InChI InChI=1S/C32H42N8O4S/c1-18(2)44-26-16-23(22-11-13-40(14-12-22)17-28(33)41)20(5)15-25(26)35-32-36-30(29-21(6)38-39-31(29)37-32)34-24-9-7-8-10-27(24)45(42,43)19(3)4/h7-10,15-16,18-19,22H,11-14,17H2,1-6H3,(H2,33,41)(H3,34,35,36,37,38,39)
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n/an/a 14n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107069
PNG
(US8592432, 54)
Show SMILES CC(C)Oc1cc(C2CCN(CCC(=O)N(C)C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Show InChI InChI=1S/C35H48N8O4S/c1-21(2)47-29-20-26(25-13-16-43(17-14-25)18-15-31(44)42(7)8)23(5)19-28(29)37-35-38-33(32-24(6)40-41-34(32)39-35)36-27-11-9-10-12-30(27)48(45,46)22(3)4/h9-12,19-22,25H,13-18H2,1-8H3,(H3,36,37,38,39,40,41)
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n/an/a 15n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107073
PNG
(US8592432, 59)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C2CCNCC2)nc2n[nH]c(C)c12
Show InChI InChI=1S/C26H31N7O2S/c1-16(2)36(34,35)22-7-5-4-6-21(22)29-24-23-17(3)32-33-25(23)31-26(30-24)28-20-10-8-18(9-11-20)19-12-14-27-15-13-19/h4-11,16,19,27H,12-15H2,1-3H3,(H3,28,29,30,31,32,33)
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n/an/a 17n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107079
PNG
(US8592432, 65)
Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)CCN(C)C)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Show InChI InChI=1S/C35H48N8O4S/c1-21(2)47-29-20-26(25-13-17-43(18-14-25)31(44)15-16-42(7)8)23(5)19-28(29)37-35-38-33(32-24(6)40-41-34(32)39-35)36-27-11-9-10-12-30(27)48(45,46)22(3)4/h9-12,19-22,25H,13-18H2,1-8H3,(H3,36,37,38,39,40,41)
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n/an/a 18n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107067
PNG
(US8592432, 52)
Show SMILES CC(C)Oc1cc(C2CCN(CCC(N)=O)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Show InChI InChI=1S/C33H44N8O4S/c1-19(2)45-27-18-24(23-11-14-41(15-12-23)16-13-29(34)42)21(5)17-26(27)36-33-37-31(30-22(6)39-40-32(30)38-33)35-25-9-7-8-10-28(25)46(43,44)20(3)4/h7-10,17-20,23H,11-16H2,1-6H3,(H2,34,42)(H3,35,36,37,38,39,40)
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US Patent
n/an/a 18n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107077
PNG
(US8592432, 63)
Show SMILES CC(C)Oc1cc(C2CCN(CC2)[C@@H]2CCS(=O)(=O)C2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Show InChI InChI=1S/C34H45N7O5S2/c1-20(2)46-29-18-26(24-11-14-41(15-12-24)25-13-16-47(42,43)19-25)22(5)17-28(29)36-34-37-32(31-23(6)39-40-33(31)38-34)35-27-9-7-8-10-30(27)48(44,45)21(3)4/h7-10,17-18,20-21,24-25H,11-16,19H2,1-6H3,(H3,35,36,37,38,39,40)/t25-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107076
PNG
(US8592432, 62)
Show SMILES CC(C)Oc1cc(C2CCN(CC2)[C@H]2CCS(=O)(=O)C2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Show InChI InChI=1S/C34H45N7O5S2/c1-20(2)46-29-18-26(24-11-14-41(15-12-24)25-13-16-47(42,43)19-25)22(5)17-28(29)36-34-37-32(31-23(6)39-40-33(31)38-34)35-27-9-7-8-10-30(27)48(44,45)21(3)4/h7-10,17-18,20-21,24-25H,11-16,19H2,1-6H3,(H3,35,36,37,38,39,40)/t25-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107057
PNG
(US8592432, 34)
Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Show InChI InChI=1S/C31H41N7O3S/c1-18(2)41-26-17-23(22-12-14-38(7)15-13-22)20(5)16-25(26)33-31-34-29(28-21(6)36-37-30(28)35-31)32-24-10-8-9-11-27(24)42(39,40)19(3)4/h8-11,16-19,22H,12-15H2,1-7H3,(H3,32,33,34,35,36,37)
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n/an/a 20n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107059
PNG
(US8592432, 36)
Show SMILES CNC(=O)CN1CCC(CC1)c1cc(OC(C)C)c(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)cc1C
Show InChI InChI=1S/C33H44N8O4S/c1-19(2)45-27-17-24(23-12-14-41(15-13-23)18-29(42)34-7)21(5)16-26(27)36-33-37-31(30-22(6)39-40-32(30)38-33)35-25-10-8-9-11-28(25)46(43,44)20(3)4/h8-11,16-17,19-20,23H,12-15,18H2,1-7H3,(H,34,42)(H3,35,36,37,38,39,40)
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n/an/a 21n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107068
PNG
(US8592432, 53)
Show SMILES CC(C)Oc1cc(C2CCN(CCC(=O)N3CCC3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Show InChI InChI=1S/C36H48N8O4S/c1-22(2)48-30-21-27(26-12-17-43(18-13-26)19-14-32(45)44-15-9-16-44)24(5)20-29(30)38-36-39-34(33-25(6)41-42-35(33)40-36)37-28-10-7-8-11-31(28)49(46,47)23(3)4/h7-8,10-11,20-23,26H,9,12-19H2,1-6H3,(H3,37,38,39,40,41,42)
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n/an/a 21n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107051
PNG
(US8592432, 27)
Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)Cn2cccn2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Show InChI InChI=1S/C35H43N9O4S/c1-21(2)48-29-19-26(25-12-16-43(17-13-25)31(45)20-44-15-9-14-36-44)23(5)18-28(29)38-35-39-33(32-24(6)41-42-34(32)40-35)37-27-10-7-8-11-30(27)49(46,47)22(3)4/h7-11,14-15,18-19,21-22,25H,12-13,16-17,20H2,1-6H3,(H3,37,38,39,40,41,42)
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n/an/a 22n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107040
PNG
(US8592432, 15)
Show SMILES CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)[C@@H]3CCCN3C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C35H44ClN7O5S/c1-21(2)48-30-17-23-20-43(24-12-15-42(16-13-24)34(45)29-10-8-14-41(29)5)33(44)25(23)18-28(30)39-35-37-19-26(36)32(40-35)38-27-9-6-7-11-31(27)49(46,47)22(3)4/h6-7,9,11,17-19,21-22,24,29H,8,10,12-16,20H2,1-5H3,(H2,37,38,39,40)/t29-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107064
PNG
(US8592432, 46)
Show SMILES CC(C)Oc1cc(C2CCN(CCS(C)(=O)=O)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Show InChI InChI=1S/C33H45N7O5S2/c1-20(2)45-28-19-25(24-12-14-40(15-13-24)16-17-46(7,41)42)22(5)18-27(28)35-33-36-31(30-23(6)38-39-32(30)37-33)34-26-10-8-9-11-29(26)47(43,44)21(3)4/h8-11,18-21,24H,12-17H2,1-7H3,(H3,34,35,36,37,38,39)
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n/an/a 23n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107070
PNG
(US8592432, 55)
Show SMILES CNC(=O)CCN1CCC(CC1)c1cc(OC(C)C)c(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)cc1C
Show InChI InChI=1S/C34H46N8O4S/c1-20(2)46-28-19-25(24-12-15-42(16-13-24)17-14-30(43)35-7)22(5)18-27(28)37-34-38-32(31-23(6)40-41-33(31)39-34)36-26-10-8-9-11-29(26)47(44,45)21(3)4/h8-11,18-21,24H,12-17H2,1-7H3,(H,35,43)(H3,36,37,38,39,40,41)
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n/an/a 25n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50436855
PNG
(CHEMBL2403842 | US8592432, 1)
Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C32H43ClN6O4S/c1-20(2)43-28-17-24(23-12-14-39(15-13-23)30(40)19-38(6)7)22(5)16-27(28)36-32-34-18-25(33)31(37-32)35-26-10-8-9-11-29(26)44(41,42)21(3)4/h8-11,16-18,20-21,23H,12-15,19H2,1-7H3,(H2,34,35,36,37)
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n/an/a 26n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM107052
PNG
(US8592432, 28)
Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)Cn2ccnc2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
Show InChI InChI=1S/C35H43N9O4S/c1-21(2)48-29-18-26(25-11-14-44(15-12-25)31(45)19-43-16-13-36-20-43)23(5)17-28(29)38-35-39-33(32-24(6)41-42-34(32)40-35)37-27-9-7-8-10-30(27)49(46,47)22(3)4/h7-10,13,16-18,20-22,25H,11-12,14-15,19H2,1-6H3,(H3,37,38,39,40,41,42)
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n/an/a 29n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...


US Patent US8592432 (2013)


BindingDB Entry DOI: 10.7270/Q2J67FK9
More data for this
Ligand-Target Pair
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