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8 similar compounds to monomer 50116687

Compile data set for download or QSAR
Wt: 560.0
BDBM50116694
Wt: 546.0
BDBM50116698
Wt: 254.7
BDBM50116700
Wt: 264.6
BDBM50116704
Wt: 254.3
BDBM50116706
Wt: 544.0
BDBM50116691
Wt: 291.7
BDBM50116701
Wt: 502.0
BDBM50116679

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50116694,50116698,50116700,50116704,50116706,50116691,50116701,50116679   
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
Insulin receptor


(Homo sapiens (Human))
BDBM50116679
PNG
(CHEMBL3608522 | US10053458, 47)
Show SMILES COc1cc2CNCCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-9-5-4-8-19(22)28-23-18(25)14-27-24(30-23)29-20-11-16-7-6-10-26-13-17(16)12-21(20)33-3/h4-5,8-9,11-12,14-15,26H,6-7,10,13H2,1-3H3,(H2,27,28,29,30)
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n/an/a 5.20n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM50116698
PNG
(CHEMBL3608641 | US10053458, 69)
Show SMILES COc1cc2CCN(CCO)CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O4S/c1-17(2)37(34,35)24-7-5-4-6-21(24)29-25-20(27)16-28-26(31-25)30-22-14-18-8-10-32(12-13-33)11-9-19(18)15-23(22)36-3/h4-7,14-17,33H,8-13H2,1-3H3,(H2,28,29,30,31)
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n/an/a<10n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)


BindingDB Entry DOI: 10.7270/Q2ZS2ZH9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116679
PNG
(CHEMBL3608522 | US10053458, 47)
Show SMILES COc1cc2CNCCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-9-5-4-8-19(22)28-23-18(25)14-27-24(30-23)29-20-11-16-7-6-10-26-13-17(16)12-21(20)33-3/h4-5,8-9,11-12,14-15,26H,6-7,10,13H2,1-3H3,(H2,27,28,29,30)
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n/an/a 2.70n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116691
PNG
(CHEMBL3608529 | US10053458, 50)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O
Show InChI InChI=1S/C26H30ClN5O4S/c1-16(2)37(34,35)24-10-6-5-9-21(24)29-25-20(27)14-28-26(31-25)30-22-12-18-8-7-11-32(17(3)33)15-19(18)13-23(22)36-4/h5-6,9-10,12-14,16H,7-8,11,15H2,1-4H3,(H2,28,29,30,31)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116694
PNG
(CHEMBL3608532 | US10053458, 60)
Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO
Show InChI InChI=1S/C26H30ClN5O5S/c1-16(2)38(35,36)23-9-5-4-8-20(23)29-25-19(27)13-28-26(31-25)30-21-11-18-14-32(24(34)15-33)10-6-7-17(18)12-22(21)37-3/h4-5,8-9,11-13,16,33H,6-7,10,14-15H2,1-3H3,(H2,28,29,30,31)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116698
PNG
(CHEMBL3608641 | US10053458, 69)
Show SMILES COc1cc2CCN(CCO)CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O4S/c1-17(2)37(34,35)24-7-5-4-6-21(24)29-25-20(27)16-28-26(31-25)30-22-14-18-8-10-32(12-13-33)11-9-19(18)15-23(22)36-3/h4-7,14-17,33H,8-13H2,1-3H3,(H2,28,29,30,31)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116698
PNG
(CHEMBL3608641 | US10053458, 69)
Show SMILES COc1cc2CCN(CCO)CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O4S/c1-17(2)37(34,35)24-7-5-4-6-21(24)29-25-20(27)16-28-26(31-25)30-22-14-18-8-10-32(12-13-33)11-9-19(18)15-23(22)36-3/h4-7,14-17,33H,8-13H2,1-3H3,(H2,28,29,30,31)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116694
PNG
(CHEMBL3608532 | US10053458, 60)
Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO
Show InChI InChI=1S/C26H30ClN5O5S/c1-16(2)38(35,36)23-9-5-4-8-20(23)29-25-19(27)13-28-26(31-25)30-21-11-18-14-32(24(34)15-33)10-6-7-17(18)12-22(21)37-3/h4-5,8-9,11-13,16,33H,6-7,10,14-15H2,1-3H3,(H2,28,29,30,31)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116691
PNG
(CHEMBL3608529 | US10053458, 50)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O
Show InChI InChI=1S/C26H30ClN5O4S/c1-16(2)37(34,35)24-10-6-5-9-21(24)29-25-20(27)14-28-26(31-25)30-22-12-18-8-7-11-32(17(3)33)15-19(18)13-23(22)36-4/h5-6,9-10,12-14,16H,7-8,11,15H2,1-4H3,(H2,28,29,30,31)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50116700
PNG
(CHEMBL3608699)
Show SMILES Clc1cccc(Nc2ccnc3ccccc23)c1
Show InChI InChI=1S/C15H11ClN2/c16-11-4-3-5-12(10-11)18-15-8-9-17-14-7-2-1-6-13(14)15/h1-10H,(H,17,18)
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n/an/a 18n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50116701
PNG
(CHEMBL3608698)
Show SMILES CCOc1ccc(O)c(c1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C15H14ClNO3/c1-2-20-12-6-7-14(18)13(9-12)15(19)17-11-5-3-4-10(16)8-11/h3-9,18H,2H2,1H3,(H,17,19)
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n/an/a 925n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50116704
PNG
(CHEMBL3608695)
Show SMILES Nc1ccc(F)cc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C13H10ClFN2O/c14-8-2-1-3-10(6-8)17-13(18)11-7-9(15)4-5-12(11)16/h1-7H,16H2,(H,17,18)
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n/an/a 67n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Fatty acid desaturase 1


(Homo sapiens (Human))
BDBM50116706
PNG
(CHEMBL3608694)
Show SMILES CC(C)c1cccc(NC(=O)c2ccccc2N)c1
Show InChI InChI=1S/C16H18N2O/c1-11(2)12-6-5-7-13(10-12)18-16(19)14-8-3-4-9-15(14)17/h3-11H,17H2,1-2H3,(H,18,19)
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n/an/a 843n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116679
PNG
(CHEMBL3608522 | US10053458, 47)
Show SMILES COc1cc2CNCCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-9-5-4-8-19(22)28-23-18(25)14-27-24(30-23)29-20-11-16-7-6-10-26-13-17(16)12-21(20)33-3/h4-5,8-9,11-12,14-15,26H,6-7,10,13H2,1-3H3,(H2,27,28,29,30)
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n/an/a<10n/an/an/an/an/a25



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
A proliferation inhibitory activity against the ALK of the compound represented by Chemical Formula 1 according to the present invention at an enzyme...


US Patent US10053458 (2018)


BindingDB Entry DOI: 10.7270/Q2ZS2ZH9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM50116679
PNG
(CHEMBL3608522 | US10053458, 47)
Show SMILES COc1cc2CNCCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-9-5-4-8-19(22)28-23-18(25)14-27-24(30-23)29-20-11-16-7-6-10-26-13-17(16)12-21(20)33-3/h4-5,8-9,11-12,14-15,26H,6-7,10,13H2,1-3H3,(H2,27,28,29,30)
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n/an/a 3n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)


BindingDB Entry DOI: 10.7270/Q2ZS2ZH9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116691
PNG
(CHEMBL3608529 | US10053458, 50)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O
Show InChI InChI=1S/C26H30ClN5O4S/c1-16(2)37(34,35)24-10-6-5-9-21(24)29-25-20(27)14-28-26(31-25)30-22-12-18-8-7-11-32(17(3)33)15-19(18)13-23(22)36-4/h5-6,9-10,12-14,16H,7-8,11,15H2,1-4H3,(H2,28,29,30,31)
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n/an/a<10n/an/an/an/an/a25



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
A proliferation inhibitory activity against the ALK of the compound represented by Chemical Formula 1 according to the present invention at an enzyme...


US Patent US10053458 (2018)


BindingDB Entry DOI: 10.7270/Q2ZS2ZH9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM50116691
PNG
(CHEMBL3608529 | US10053458, 50)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O
Show InChI InChI=1S/C26H30ClN5O4S/c1-16(2)37(34,35)24-10-6-5-9-21(24)29-25-20(27)14-28-26(31-25)30-22-12-18-8-7-11-32(17(3)33)15-19(18)13-23(22)36-4/h5-6,9-10,12-14,16H,7-8,11,15H2,1-4H3,(H2,28,29,30,31)
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n/an/a 2.70n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)


BindingDB Entry DOI: 10.7270/Q2ZS2ZH9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116694
PNG
(CHEMBL3608532 | US10053458, 60)
Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO
Show InChI InChI=1S/C26H30ClN5O5S/c1-16(2)38(35,36)23-9-5-4-8-20(23)29-25-19(27)13-28-26(31-25)30-21-11-18-14-32(24(34)15-33)10-6-7-17(18)12-22(21)37-3/h4-5,8-9,11-13,16,33H,6-7,10,14-15H2,1-3H3,(H2,28,29,30,31)
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n/an/a<10n/an/an/an/an/a25



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
A proliferation inhibitory activity against the ALK of the compound represented by Chemical Formula 1 according to the present invention at an enzyme...


US Patent US10053458 (2018)


BindingDB Entry DOI: 10.7270/Q2ZS2ZH9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM50116694
PNG
(CHEMBL3608532 | US10053458, 60)
Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO
Show InChI InChI=1S/C26H30ClN5O5S/c1-16(2)38(35,36)23-9-5-4-8-20(23)29-25-19(27)13-28-26(31-25)30-21-11-18-14-32(24(34)15-33)10-6-7-17(18)12-22(21)37-3/h4-5,8-9,11-13,16,33H,6-7,10,14-15H2,1-3H3,(H2,28,29,30,31)
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n/an/a<10n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




US Patent US10053458 (2018)


BindingDB Entry DOI: 10.7270/Q2ZS2ZH9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116698
PNG
(CHEMBL3608641 | US10053458, 69)
Show SMILES COc1cc2CCN(CCO)CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O4S/c1-17(2)37(34,35)24-7-5-4-6-21(24)29-25-20(27)16-28-26(31-25)30-22-14-18-8-10-32(12-13-33)11-9-19(18)15-23(22)36-3/h4-7,14-17,33H,8-13H2,1-3H3,(H2,28,29,30,31)
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US Patent
n/an/a<10n/an/an/an/an/a25



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
A proliferation inhibitory activity against the ALK of the compound represented by Chemical Formula 1 according to the present invention at an enzyme...


US Patent US10053458 (2018)


BindingDB Entry DOI: 10.7270/Q2ZS2ZH9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116679
PNG
(CHEMBL3608522 | US10053458, 47)
Show SMILES COc1cc2CNCCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-9-5-4-8-19(22)28-23-18(25)14-27-24(30-23)29-20-11-16-7-6-10-26-13-17(16)12-21(20)33-3/h4-5,8-9,11-12,14-15,26H,6-7,10,13H2,1-3H3,(H2,27,28,29,30)
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Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair