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Compile Data Set for Download or QSAR

Found 40 hits of Enz. Inhib. data with enzyme = 'ALK tyrosine kinase receptor' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM406408
PNG
(US10336734, Example 21)
Show SMILES COc1ccccc1CCNc1nc(Nc2ccc(cc2OC)N2CCN(C)CC2)ncc1Cl
Show InChI InChI=1S/C25H31ClN6O2/c1-31-12-14-32(15-13-31)19-8-9-21(23(16-19)34-3)29-25-28-17-20(26)24(30-25)27-11-10-18-6-4-5-7-22(18)33-2/h4-9,16-17H,10-15H2,1-3H3,(H2,27,28,29,30)
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n/an/a 2n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute Inc

US Patent


Assay Description
Enzyme-Linked Immunosorbent Assay.


US Patent US10336734 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM376998
PNG
(4-[7-({7-[2-Methoxy-4-trifluoromethylphenyl]-6-met...)
Show SMILES COc1cc(ccc1-c1c(C)sc2cnc(Nc3ccc(C4CCN(CC4O)C(=O)OC(C)(C)C)c4CCOc34)nc12)C(F)(F)F
Show InChI InChI=1/C33H35F3N4O5S/c1-17-27(22-7-6-18(33(34,35)36)14-25(22)43-5)28-26(46-17)15-37-30(39-28)38-23-9-8-19(21-11-13-44-29(21)23)20-10-12-40(16-24(20)41)31(42)45-32(2,3)4/h6-9,14-15,20,24,41H,10-13,16H2,1-5H3,(H,37,38,39)
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n/an/a 2.10n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377009
PNG
(4-[7-({8-[2-Methoxy-4-(trifluoromethyl)phenyl]quin...)
Show SMILES COc1cc(ccc1-c1cccc2cnc(Nc3ccc(C4CCN(CC4O)C(=O)OC(C)(C)C)c4CCOc34)nc12)C(F)(F)F
Show InChI InChI=1/C34H35F3N4O5/c1-33(2,3)46-32(43)41-14-12-22(27(42)18-41)21-10-11-26(30-25(21)13-15-45-30)39-31-38-17-19-6-5-7-24(29(19)40-31)23-9-8-20(34(35,36)37)16-28(23)44-4/h5-11,16-17,22,27,42H,12-15,18H2,1-4H3,(H,38,39,40)
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n/an/a 2.30n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377011
PNG
(3-Methoxy-4-(2-{[4-(piperidin-4-yl)-2,3-dihydro-1-...)
Show SMILES COc1cc(ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4CCOc34)nc12)C(N)=O
Show InChI InChI=1S/C29H29N5O3/c1-36-25-15-18(28(30)35)5-6-21(25)22-4-2-3-19-16-32-29(34-26(19)22)33-24-8-7-20(17-9-12-31-13-10-17)23-11-14-37-27(23)24/h2-8,15-17,31H,9-14H2,1H3,(H2,30,35)(H,32,33,34)
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n/an/a 2.5n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377016
PNG
(N-[7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimi...)
Show SMILES COc1ccccc1C1=C(C)SC2C=NC(Nc3cc(nn3C(C)C)C3CCNCC3)=NC12
Show InChI InChI=1/C25H32N6OS/c1-15(2)31-22(13-19(30-31)17-9-11-26-12-10-17)28-25-27-14-21-24(29-25)23(16(3)33-21)18-7-5-6-8-20(18)32-4/h5-8,13-15,17,21,24,26H,9-12H2,1-4H3,(H,28,29)
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n/an/a 2.70n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM376996
PNG
(7-(2-Methylphenyl)-N-[4-(piperidin-4-yl)-2,3-dihyd...)
Show SMILES COc1ccccc1-c1c(C)sc2cnc(Nc3ccc(C4CCNCC4)c4CCOc34)nc12
Show InChI InChI=1S/C27H28N4O2S/c1-16-24(20-5-3-4-6-22(20)32-2)25-23(34-16)15-29-27(31-25)30-21-8-7-18(17-9-12-28-13-10-17)19-11-14-33-26(19)21/h3-8,15,17,28H,9-14H2,1-2H3,(H,29,30,31)
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n/an/a 3.30n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377014
PNG
(4-[7-({8-[2-Methoxy-4-trifluoromethylphenyl]quinaz...)
Show SMILES COc1cc(ccc1-c1cccc2cnc(Nc3ccc(c4CCOc34)C3(O)CCNCC3)nc12)C(F)(F)F
Show InChI InChI=1S/C29H27F3N4O3/c1-38-24-15-18(29(30,31)32)5-6-19(24)20-4-2-3-17-16-34-27(36-25(17)20)35-23-8-7-22(21-9-14-39-26(21)23)28(37)10-12-33-13-11-28/h2-8,15-16,33,37H,9-14H2,1H3,(H,34,35,36)
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n/an/a 3.30n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377013
PNG
(8-(4-Methylsulfonyl-2-methoxyphenyl)-N-[2-methyl-4...)
Show SMILES COc1cc(ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4CC(C)Oc34)nc12)S(C)(=O)=O
Show InChI InChI=1/C30H32N4O4S/c1-18-15-25-22(19-11-13-31-14-12-19)9-10-26(29(25)38-18)33-30-32-17-20-5-4-6-24(28(20)34-30)23-8-7-21(39(3,35)36)16-27(23)37-2/h4-10,16-19,31H,11-15H2,1-3H3,(H,32,33,34)
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n/an/a 3.40n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377005
PNG
(8-(4-Fluoro-2-methoxyphenyl)-N-[4-(piperidin-4-yl)...)
Show SMILES COc1cc(F)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4CCOc34)nc12
Show InChI InChI=1S/C28H27FN4O2/c1-34-25-15-19(29)5-6-21(25)22-4-2-3-18-16-31-28(33-26(18)22)32-24-8-7-20(17-9-12-30-13-10-17)23-11-14-35-27(23)24/h2-8,15-17,30H,9-14H2,1H3,(H,31,32,33)
PDB

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n/an/a 5.10n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM376992
PNG
(N-(2-(2-((2-Methoxy-4-(piperidin-4-yl)phenyl)amino...)
Show SMILES COc1cc(ccc1Nc1ncc2scc(-c3ccccc3N(C)CS(C)(=O)=O)c2n1)C1CCNCC1
Show InChI InChI=1S/C27H31N5O3S2/c1-32(17-37(3,33)34)23-7-5-4-6-20(23)21-16-36-25-15-29-27(31-26(21)25)30-22-9-8-19(14-24(22)35-2)18-10-12-28-13-11-18/h4-9,14-16,18,28H,10-13,17H2,1-3H3,(H,29,30,31)
PDB

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n/an/a 5.5n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM376994
PNG
(N-[2-Methoxy-4-(piperidin-4-yl)phenyl]-7-(2-methox...)
Show SMILES COc1ccccc1-c1c(C)sc2cnc(Nc3ccc(cc3OC)C3CCNCC3)nc12
Show InChI InChI=1S/C26H28N4O2S/c1-16-24(19-6-4-5-7-21(19)31-2)25-23(33-16)15-28-26(30-25)29-20-9-8-18(14-22(20)32-3)17-10-12-27-13-11-17/h4-9,14-15,17,27H,10-13H2,1-3H3,(H,28,29,30)
PDB

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n/an/a 6.40n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM406407
PNG
(US10336734, Example 20)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCCc2c(F)cccc2Cl)n1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27Cl2FN6O/c1-32-10-12-33(13-11-32)16-6-7-21(22(14-16)34-2)30-24-29-15-19(26)23(31-24)28-9-8-17-18(25)4-3-5-20(17)27/h3-7,14-15H,8-13H2,1-2H3,(H2,28,29,30,31)
PDB

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n/an/a 7n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute Inc

US Patent


Assay Description
Enzyme-Linked Immunosorbent Assay.


US Patent US10336734 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM376999
PNG
(7-[2-Methoxy-4-trifluoromethylphenyl]-6-methyl-N-[...)
Show SMILES COc1cc(ccc1-c1c(C)sc2cnc(Nc3ccc(C4CCNCC4)c4CCOc34)nc12)C(F)(F)F
Show InChI InChI=1S/C28H27F3N4O2S/c1-15-24(20-4-3-17(28(29,30)31)13-22(20)36-2)25-23(38-15)14-33-27(35-25)34-21-6-5-18(16-7-10-32-11-8-16)19-9-12-37-26(19)21/h3-6,13-14,16,32H,7-12H2,1-2H3,(H,33,34,35)
PDB

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n/an/a 9.10n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM376997
PNG
(7-(2-Ethoxyphenyl)-6-methyl-N-[4-(piperidin-4-yl)-...)
Show SMILES CCOc1ccccc1-c1c(C)sc2cnc(Nc3ccc(C4CCNCC4)c4CCOc34)nc12
Show InChI InChI=1S/C28H30N4O2S/c1-3-33-23-7-5-4-6-21(23)25-17(2)35-24-16-30-28(32-26(24)25)31-22-9-8-19(18-10-13-29-14-11-18)20-12-15-34-27(20)22/h4-9,16,18,29H,3,10-15H2,1-2H3,(H,30,31,32)
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n/an/a 9.30n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377018
PNG
(N-[2,2-dimethyl-4-(piperidin-4-yl)-2,3-dihydro-1-b...)
Show SMILES COc1ccccc1C1=C(C)SC2C=NC(Nc3ccc(C4CCNCC4)c4CC(C)(C)Oc34)=NC12
Show InChI InChI=1/C29H34N4O2S/c1-17-25(20-7-5-6-8-23(20)34-4)26-24(36-17)16-31-28(33-26)32-22-10-9-19(18-11-13-30-14-12-18)21-15-29(2,3)35-27(21)22/h5-10,16,18,24,26,30H,11-15H2,1-4H3,(H,32,33)
PDB

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n/an/a 10.9n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377015
PNG
(7-{[8-(4-Fluoro-2-methoxyphenyl)quinazolin-2-yl]am...)
Show SMILES COc1cc(F)ccc1-c1cccc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c4CCOc34)nc12
Show InChI InChI=1S/C29H28FN5O3/c1-37-25-15-18(30)5-6-20(25)21-4-2-3-17-16-32-29(35-26(17)21)34-24-8-7-23(22-11-14-38-27(22)24)28(36)33-19-9-12-31-13-10-19/h2-8,15-16,19,31H,9-14H2,1H3,(H,33,36)(H,32,34,35)
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n/an/a 12n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377002
PNG
(8-(2-Methoxyphenyl)-N-[4-(piperidin-4-yl)-2,3-dihy...)
Show SMILES COc1ccccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4CCOc34)nc12
Show InChI InChI=1S/C28H28N4O2/c1-33-25-8-3-2-6-21(25)22-7-4-5-19-17-30-28(32-26(19)22)31-24-10-9-20(18-11-14-29-15-12-18)23-13-16-34-27(23)24/h2-10,17-18,29H,11-16H2,1H3,(H,30,31,32)
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n/an/a 12n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377000
PNG
(N-[2-methoxy-4-(piperidin-4-yl)phenyl]-8-(2-methox...)
Show SMILES COc1ccccc1-c1cccc2cnc(Nc3ccc(cc3OC)C3CCNCC3)nc12
Show InChI InChI=1S/C27H28N4O2/c1-32-24-9-4-3-7-21(24)22-8-5-6-20-17-29-27(31-26(20)22)30-23-11-10-19(16-25(23)33-2)18-12-14-28-15-13-18/h3-11,16-18,28H,12-15H2,1-2H3,(H,29,30,31)
PDB

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n/an/a 12.8n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377012
PNG
(8-(4-Methylsulfonyl-2-methoxyphenyl)-N-[4-(piperid...)
Show SMILES COc1cc(ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4CCOc34)nc12)S(C)(=O)=O
Show InChI InChI=1S/C29H30N4O4S/c1-36-26-16-20(38(2,34)35)6-7-22(26)23-5-3-4-19-17-31-29(33-27(19)23)32-25-9-8-21(18-10-13-30-14-11-18)24-12-15-37-28(24)25/h3-9,16-18,30H,10-15H2,1-2H3,(H,31,32,33)
PDB

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n/an/a 14n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM376993
PNG
(7-(2,3-Dihydro-1-benzofuran-7-yl)-N-(2-methoxy-4-(...)
Show SMILES COc1cc(ccc1Nc1ncc2sc(C)c(-c3cccc4CCOc34)c2n1)C1CCNCC1
Show InChI InChI=1S/C27H28N4O2S/c1-16-24(20-5-3-4-18-10-13-33-26(18)20)25-23(34-16)15-29-27(31-25)30-21-7-6-19(14-22(21)32-2)17-8-11-28-12-9-17/h3-7,14-15,17,28H,8-13H2,1-2H3,(H,29,30,31)
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n/an/a 14n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377007
PNG
(8-(5-Fluoro-2-methoxyphenyl)-N-[4-(piperidin-4-yl)...)
Show SMILES COc1ccc(F)cc1-c1cccc2cnc(Nc3ccc(C4CCN(CC4)C(=O)OC(C)(C)C)c4CCOc34)nc12
Show InChI InChI=1S/C33H35FN4O4/c1-33(2,3)42-32(39)38-15-12-20(13-16-38)23-9-10-27(30-25(23)14-17-41-30)36-31-35-19-21-6-5-7-24(29(21)37-31)26-18-22(34)8-11-28(26)40-4/h5-11,18-20H,12-17H2,1-4H3,(H,35,36,37)
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n/an/a 14n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377008
PNG
(8-[2-Methoxy-4-(trifluoromethyl)phenyl])-N-[4-(pip...)
Show SMILES COc1cc(ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4CCOc34)nc12)C(F)(F)F
Show InChI InChI=1S/C29H27F3N4O2/c1-37-25-15-19(29(30,31)32)5-6-21(25)22-4-2-3-18-16-34-28(36-26(18)22)35-24-8-7-20(17-9-12-33-13-10-17)23-11-14-38-27(23)24/h2-8,15-17,33H,9-14H2,1H3,(H,34,35,36)
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n/an/a 14n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377004
PNG
(8-(2-Methoxyphenyl)-N-[3-(piperidin-4-yl)-1-isopro...)
Show SMILES COc1ccccc1-c1cccc2cnc(Nc3cc(nn3C(C)C)C3CCNCC3)nc12
Show InChI InChI=1S/C26H30N6O/c1-17(2)32-24(15-22(31-32)18-11-13-27-14-12-18)29-26-28-16-19-7-6-9-21(25(19)30-26)20-8-4-5-10-23(20)33-3/h4-10,15-18,27H,11-14H2,1-3H3,(H,28,29,30)
PDB

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n/an/a 27n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM376995
PNG
(7-(2-Methylphenyl)-N-[4-(piperidin-4-yl)-2-isoprop...)
Show SMILES COc1ccccc1-c1c(C)sc2cnc(Nc3ccc(cc3OC(C)C)C3CCNCC3)nc12
Show InChI InChI=1S/C28H32N4O2S/c1-17(2)34-24-15-20(19-11-13-29-14-12-19)9-10-22(24)31-28-30-16-25-27(32-28)26(18(3)35-25)21-7-5-6-8-23(21)33-4/h5-10,15-17,19,29H,11-14H2,1-4H3,(H,30,31,32)
PDB

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n/an/a 27.7n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377006
PNG
(8-(4-Fluoro-2-methoxyphenyl)-N-[3-(piperidin-4-yl)...)
Show SMILES COc1cc(F)ccc1-c1cccc2cnc(Nc3cc(nn3C(C)C)C3CCNCC3)nc12
Show InChI InChI=1S/C26H29FN6O/c1-16(2)33-24(14-22(32-33)17-9-11-28-12-10-17)30-26-29-15-18-5-4-6-21(25(18)31-26)20-8-7-19(27)13-23(20)34-3/h4-8,13-17,28H,9-12H2,1-3H3,(H,29,30,31)
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n/an/a 34n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377001
PNG
(6-Fluoro-8-(2-methoxyphenyl)-N-[4-(piperidin-4-yl)...)
Show SMILES COc1ccccc1-c1cc(F)cc2cnc(Nc3ccc(C4CCNCC4)c4CCOc34)nc12
Show InChI InChI=1S/C28H27FN4O2/c1-34-25-5-3-2-4-21(25)23-15-19(29)14-18-16-31-28(33-26(18)23)32-24-7-6-20(17-8-11-30-12-9-17)22-10-13-35-27(22)24/h2-7,14-17,30H,8-13H2,1H3,(H,31,32,33)
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n/an/a 34n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM406409
PNG
(US10336734, Example 26)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NC[C@H]2CCCO2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C21H29ClN6O2/c1-27-7-9-28(10-8-27)15-5-6-18(19(12-15)29-2)25-21-24-14-17(22)20(26-21)23-13-16-4-3-11-30-16/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3,(H2,23,24,25,26)/t16-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute Inc

US Patent


Assay Description
Enzyme-Linked Immunosorbent Assay.


US Patent US10336734 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377010
PNG
(8-{2-Methoxy-4-[(morpholin-4-yl)carbonyl]phenyl}-N...)
Show SMILES COc1cc(ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4CCOc34)nc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C33H35N5O4/c1-40-29-19-22(32(39)38-14-17-41-18-15-38)5-6-25(29)26-4-2-3-23-20-35-33(37-30(23)26)36-28-8-7-24(21-9-12-34-13-10-21)27-11-16-42-31(27)28/h2-8,19-21,34H,9-18H2,1H3,(H,35,36,37)
PDB

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n/an/a 35n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM377003
PNG
(N-[2,2-Dimethyl-4-(piperidin-4-yl)-2,3-dihydro-1-b...)
Show SMILES COc1ccccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4CC(C)(C)Oc34)nc12
Show InChI InChI=1S/C30H32N4O2/c1-30(2)17-24-21(19-13-15-31-16-14-19)11-12-25(28(24)36-30)33-29-32-18-20-7-6-9-23(27(20)34-29)22-8-4-5-10-26(22)35-3/h4-12,18-19,31H,13-17H2,1-3H3,(H,32,33,34)
PDB

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n/an/a 36n/an/an/an/an/an/a



GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-wel...


US Patent US10259816 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM374715
PNG
(11-fluoro-3,14-dimethyl-6,7,13,14-tetrahydro-1,15-...)
Show SMILES CN1Cc2cc(F)ccc2OCCNC(=O)c2c(C)nn3ccc1nc23
Show InChI InChI=1S/C18H18FN5O2/c1-11-16-17-21-15(5-7-24(17)22-11)23(2)10-12-9-13(19)3-4-14(12)26-8-6-20-18(16)25/h3-5,7,9H,6,8,10H2,1-2H3,(H,20,25)
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n/an/an/a 600n/an/an/an/an/a



TP Therapeutics, Inc.

US Patent


Assay Description
Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., ďA small molecule-kinase interactio...


US Patent US10246466 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM374716
PNG
(10-fluoro-8-methyl-15,16-dihydro-8H-3,6- ethenoimi...)
Show SMILES CC1Oc2ccc3ncc(C(=O)NCCOc4ccc(F)cc14)n3n2
Show InChI InChI=1/C17H15FN4O3/c1-10-12-8-11(18)2-3-14(12)24-7-6-19-17(23)13-9-20-15-4-5-16(25-10)21-22(13)15/h2-5,8-10H,6-7H2,1H3,(H,19,23)
PDB

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n/an/an/a 200n/an/an/an/an/a



TP Therapeutics, Inc.

US Patent


Assay Description
Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., ďA small molecule-kinase interactio...


US Patent US10246466 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM374723
PNG
((13R)-11-fluoro-13-methyl-6,7,13,14- tetrahydro-1,...)
Show SMILES C[C@H]1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2
Show InChI InChI=1/C17H16FN5O2/c1-10-12-8-11(18)2-3-14(12)25-7-5-19-17(24)13-9-20-23-6-4-15(21-10)22-16(13)23/h2-4,6,8-10H,5,7H2,1H3,(H,19,24)(H,21,22)/t10-/s2
PDB

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n/an/an/a 6.80n/an/an/an/an/a



TP Therapeutics, Inc.

US Patent


Assay Description
Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., ďA small molecule-kinase interactio...


US Patent US10246466 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM374724
PNG
(12-chloro-11-fluoro-13-methyl-6,7,13,14- tetrahydr...)
Show SMILES CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)c(Cl)c14)c3n2
Show InChI InChI=1/C17H15ClFN5O2/c1-9-14-12(3-2-11(19)15(14)18)26-7-5-20-17(25)10-8-21-24-6-4-13(22-9)23-16(10)24/h2-4,6,8-9H,5,7H2,1H3,(H,20,25)(H,22,23)
PDB

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n/an/an/a 270n/an/an/an/an/a



TP Therapeutics, Inc.

US Patent


Assay Description
Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., ďA small molecule-kinase interactio...


US Patent US10246466 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM374727
PNG
((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Show SMILES C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23
Show InChI InChI=1/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/s2
PDB

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n/an/an/a 5.70n/an/an/an/an/a



TP Therapeutics, Inc.

US Patent


Assay Description
Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., ďA small molecule-kinase interactio...


US Patent US10246466 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM374728
PNG
(11-fluoro-13-(hydroxymethyl)-6,7,13,14- tetrahydro...)
Show SMILES OCC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2
Show InChI InChI=1/C17H16FN5O3/c18-10-1-2-14-11(7-10)13(9-24)21-15-3-5-23-16(22-15)12(8-20-23)17(25)19-4-6-26-14/h1-3,5,7-8,13,24H,4,6,9H2,(H,19,25)(H,21,22)
PDB

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n/an/an/a 14n/an/an/an/an/a



TP Therapeutics, Inc.

US Patent


Assay Description
Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., ďA small molecule-kinase interactio...


US Patent US10246466 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM374729
PNG
(12-fluoro-5,6,7,8,14,15-hexahydro-4H-1,16- ethenop...)
Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(CCc2c1)nc34
Show InChI InChI=1S/C18H17FN4O2/c19-13-3-5-16-12(10-13)2-4-14-6-8-23-17(22-14)15(11-21-23)18(24)20-7-1-9-25-16/h3,5-6,8,10-11H,1-2,4,7,9H2,(H,20,24)
PDB

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n/an/an/a 28n/an/an/an/an/a



TP Therapeutics, Inc.

US Patent


Assay Description
Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., ďA small molecule-kinase interactio...


US Patent US10246466 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM374712
PNG
(12-chloro-11-fluoro-13-methyl-6,7-dihydro- 13H-1,1...)
Show SMILES CC1Oc2ccn3ncc(C(=O)NCCOc4ccc(F)c(Cl)c14)c3n2
Show InChI InChI=1/C17H14ClFN4O3/c1-9-14-12(3-2-11(19)15(14)18)25-7-5-20-17(24)10-8-21-23-6-4-13(26-9)22-16(10)23/h2-4,6,8-9H,5,7H2,1H3,(H,20,24)
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n/an/an/a>3.00E+4n/an/an/an/an/a



TP Therapeutics, Inc.

US Patent


Assay Description
Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., ďA small molecule-kinase interactio...


US Patent US10246466 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM374714
PNG
(12-chloro-11-fluoro-14-methyl-6,7,13,14- tetrahydr...)
Show SMILES CN1Cc2c(Cl)c(F)ccc2OCCNC(=O)c2cnn3ccc1nc23
Show InChI InChI=1S/C17H15ClFN5O2/c1-23-9-11-13(3-2-12(19)15(11)18)26-7-5-20-17(25)10-8-21-24-6-4-14(23)22-16(10)24/h2-4,6,8H,5,7,9H2,1H3,(H,20,25)
PDB

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n/an/an/a 180n/an/an/an/an/a



TP Therapeutics, Inc.

US Patent


Assay Description
Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., ďA small molecule-kinase interactio...


US Patent US10246466 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM374713
PNG
(11-fluoro-14-methyl-6,7,13,14-tetrahydro- 1,15-eth...)
Show SMILES CN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23
Show InChI InChI=1S/C17H16FN5O2/c1-22-10-11-8-12(18)2-3-14(11)25-7-5-19-17(24)13-9-20-23-6-4-15(22)21-16(13)23/h2-4,6,8-9H,5,7,10H2,1H3,(H,19,24)
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n/an/an/a 80n/an/an/an/an/a



TP Therapeutics, Inc.

US Patent


Assay Description
Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., ďA small molecule-kinase interactio...


US Patent US10246466 (2019)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM374726
PNG
((7R,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Show SMILES C[C@@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23
Show InChI InChI=1/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11-/s2
PDB

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n/an/an/a 8.20n/an/an/an/an/a



TP Therapeutics, Inc.

US Patent


Assay Description
Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., ďA small molecule-kinase interactio...


US Patent US10246466 (2019)

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Ligand-Target Pair