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Compile Data Set for Download or QSAR

Found 601 hits with Last Name = 'chae' and Initial = 'ch'   
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
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50017292
PNG
(CHEMBL3287734)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c1CC[C@@H](O)[C@]2(C)O
Show InChI InChI=1S/C18H16O5/c1-8-7-23-17-10-3-5-11-9(4-6-12(19)18(11,2)22)14(10)16(21)15(20)13(8)17/h3,5,7,12,19,22H,4,6H2,1-2H3/t12-,18-/m1/s1
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194n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED/RbAp46/48 (unknown origin) using histone H3 peptide/varying conce...


Bioorg Med Chem Lett 24: 2486-92 (2014)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50384024
PNG
(CHEMBL2032280 | CHEMBL2079349)
Show SMILES Cc1c(O)ccc2nc(oc12)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C21H22N6O2/c1-12-18(28)3-2-17-19(12)29-21(26-17)16-8-13(9-24-20(16)22)14-10-25-27(11-14)15-4-6-23-7-5-15/h2-3,8-11,15,23,28H,4-7H2,1H3,(H2,22,24)
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n/an/a 0.200n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis


Bioorg Med Chem Lett 22: 4044-8 (2012)

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


(Homo sapiens (Human))
BDBM243386
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES CC(C)Oc1cc2CNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H30ClN5O3S/c1-15(2)34-22-12-18-13-27-10-9-17(18)11-21(22)30-25-28-14-19(26)24(31-25)29-20-7-5-6-8-23(20)35(32,33)16(3)4/h5-8,11-12,14-16,27H,9-10,13H2,1-4H3,(H2,28,29,30,31)
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n/an/a 0.210n/an/an/an/an/an/a



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...


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


(Homo sapiens (Human))
BDBM243393
PNG
(Preparation of 5-chloro-N4-2-(isopropylsulfonyl)ph...)
Show SMILES COc1cc2C(C)NCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-14(2)34(31,32)22-8-6-5-7-19(22)28-23-18(25)13-27-24(30-23)29-20-11-16-9-10-26-15(3)17(16)12-21(20)33-4/h5-8,11-15,26H,9-10H2,1-4H3,(H2,27,28,29,30)
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n/an/a 0.240n/an/an/an/an/an/a



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...


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


(Homo sapiens (Human))
BDBM243395
PNG
(Preparation of 5-chloro-N4-2-(isopropylsulfonyl)ph...)
Show SMILES CCC1NCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc12
Show InChI InChI=1S/C25H30ClN5O3S/c1-5-19-17-13-22(34-4)21(12-16(17)10-11-27-19)30-25-28-14-18(26)24(31-25)29-20-8-6-7-9-23(20)35(32,33)15(2)3/h6-9,12-15,19,27H,5,10-11H2,1-4H3,(H2,28,29,30,31)
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n/an/a 0.300n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM243393
PNG
(Preparation of 5-chloro-N4-2-(isopropylsulfonyl)ph...)
Show SMILES COc1cc2C(C)NCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-14(2)34(31,32)22-8-6-5-7-19(22)28-23-18(25)13-27-24(30-23)29-20-11-16-9-10-26-15(3)17(16)12-21(20)33-4/h5-8,11-15,26H,9-10H2,1-4H3,(H2,27,28,29,30)
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n/an/a 0.300n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50380974
PNG
(CHEMBL2016903)
Show SMILES Fc1ccc2[nH]c(=O)c(cc2c1)-c1nc2CCN(Cc2[nH]1)C(=O)c1ccncc1
Show InChI InChI=1S/C21H16FN5O2/c22-14-1-2-16-13(9-14)10-15(20(28)26-16)19-24-17-5-8-27(11-18(17)25-19)21(29)12-3-6-23-7-4-12/h1-4,6-7,9-10H,5,8,11H2,(H,24,25)(H,26,28)
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n/an/a 0.300n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR-2 kinase domain by homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 22: 2837-42 (2012)

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


(Homo sapiens (Human))
BDBM50116683
PNG
(CHEMBL3608526 | US10053458, 49)
Show SMILES CCN1CCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C1
Show InChI InChI=1S/C26H32ClN5O3S/c1-5-32-12-8-9-18-13-22(23(35-4)14-19(18)16-32)30-26-28-15-20(27)25(31-26)29-21-10-6-7-11-24(21)36(33,34)17(2)3/h6-7,10-11,13-15,17H,5,8-9,12,16H2,1-4H3,(H2,28,29,30,31)
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n/an/a 0.380n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50380971
PNG
(CHEMBL2016927)
Show SMILES Clc1ccc2[nH]c(=O)c(cc2c1)-c1nc2CCN(Cc2[nH]1)C(=O)Cc1ccncc1
Show InChI InChI=1S/C22H18ClN5O2/c23-15-1-2-17-14(10-15)11-16(22(30)27-17)21-25-18-5-8-28(12-19(18)26-21)20(29)9-13-3-6-24-7-4-13/h1-4,6-7,10-11H,5,8-9,12H2,(H,25,26)(H,27,30)
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n/an/a 0.5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR-2 kinase domain by homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 22: 2837-42 (2012)

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


(Homo sapiens (Human))
BDBM50116690
PNG
(CHEMBL3608528 | US10053458, 67)
Show SMILES CCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2CC1
Show InChI InChI=1S/C26H32ClN5O3S/c1-5-32-12-10-18-14-22(23(35-4)15-19(18)11-13-32)30-26-28-16-20(27)25(31-26)29-21-8-6-7-9-24(21)36(33,34)17(2)3/h6-9,14-17H,5,10-13H2,1-4H3,(H2,28,29,30,31)
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n/an/a 0.520n/an/an/an/an/an/a



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...


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


(Homo sapiens (Human))
BDBM50116696
PNG
(CHEMBL3608534 | US10053458, 52)
Show SMILES COc1cc2CN(CCO)CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O4S/c1-17(2)37(34,35)24-9-5-4-8-21(24)29-25-20(27)15-28-26(31-25)30-22-13-18-7-6-10-32(11-12-33)16-19(18)14-23(22)36-3/h4-5,8-9,13-15,17,33H,6-7,10-12,16H2,1-3H3,(H2,28,29,30,31)
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n/an/a 0.550n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50384038
PNG
(CHEMBL2032155)
Show SMILES Nc1ncc(cc1-c1nc2cccc(-c3ccccn3)c2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C25H23N7O/c26-24-20(12-16(13-29-24)17-14-30-32(15-17)18-7-10-27-11-8-18)25-31-22-6-3-4-19(23(22)33-25)21-5-1-2-9-28-21/h1-6,9,12-15,18,27H,7-8,10-11H2,(H2,26,29)
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n/an/a 0.600n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3 by time resolved-fluorescence resonance energy transfer analysis


Bioorg Med Chem Lett 22: 4044-8 (2012)

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


(Homo sapiens (Human))
BDBM50116699
PNG
(CHEMBL3608642 | US10053458, 53)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
Show InChI InChI=1S/C29H37ClN6O3S/c1-19(2)40(37,38)27-9-5-4-8-24(27)33-28-23(30)17-32-29(35-28)34-25-15-20-7-6-14-36(22-10-12-31-13-11-22)18-21(20)16-26(25)39-3/h4-5,8-9,15-17,19,22,31H,6-7,10-14,18H2,1-3H3,(H2,32,33,34,35)
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n/an/a 0.660n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50380968
PNG
(CHEMBL2016924)
Show SMILES Fc1ccc2[nH]c(=O)c(cc2c1)-c1nc2CCN(Cc2[nH]1)C(=O)Cc1ccccn1
Show InChI InChI=1S/C22H18FN5O2/c23-14-4-5-17-13(9-14)10-16(22(30)27-17)21-25-18-6-8-28(12-19(18)26-21)20(29)11-15-3-1-2-7-24-15/h1-5,7,9-10H,6,8,11-12H2,(H,25,26)(H,27,30)
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n/an/a 0.700n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR-2 kinase domain by homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 22: 2837-42 (2012)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM50116696
PNG
(CHEMBL3608534 | US10053458, 52)
Show SMILES COc1cc2CN(CCO)CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O4S/c1-17(2)37(34,35)24-9-5-4-8-21(24)29-25-20(27)15-28-26(31-25)30-22-13-18-7-6-10-32(11-12-33)16-19(18)14-23(22)36-3/h4-5,8-9,13-15,17,33H,6-7,10-12,16H2,1-3H3,(H2,28,29,30,31)
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n/an/a 0.700n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




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


(Homo sapiens (Human))
BDBM50116685
PNG
(CHEMBL3608644 | US10053458, 54)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCOCC1
Show InChI InChI=1S/C29H36ClN5O4S/c1-19(2)40(36,37)27-9-5-4-8-24(27)32-28-23(30)17-31-29(34-28)33-25-15-20-7-6-12-35(22-10-13-39-14-11-22)18-21(20)16-26(25)38-3/h4-5,8-9,15-17,19,22H,6-7,10-14,18H2,1-3H3,(H2,31,32,33,34)
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n/an/a 0.780n/an/an/an/an/an/a



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...


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


(Homo sapiens (Human))
BDBM50436850
PNG
(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)
Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)
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n/an/a 1n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116692
PNG
(CHEMBL3608530 | US10053458, 59)
Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(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)30-22-12-19-15-32(17(3)33)11-7-8-18(19)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 1n/an/an/an/an/an/a



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...


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


(Homo sapiens (Human))
BDBM243370
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES COc1cc2CNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H26ClN5O3S/c1-14(2)33(30,31)21-7-5-4-6-18(21)27-22-17(24)13-26-23(29-22)28-19-10-15-8-9-25-12-16(15)11-20(19)32-3/h4-7,10-11,13-14,25H,8-9,12H2,1-3H3,(H2,26,27,28,29)
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n/an/a 1n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM50116680
PNG
(CHEMBL3608523 | US10053458, 56)
Show SMILES COc1cc2CCCNCc2cc1Nc1ncc(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)29-20-11-17-13-26-10-6-7-16(17)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 1n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




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


(Homo sapiens (Human))
BDBM50116686
PNG
(CHEMBL3608313 | US10053458, 63)
Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCOCC1
Show InChI InChI=1S/C29H36ClN5O4S/c1-19(2)40(36,37)27-9-5-4-8-24(27)32-28-23(30)17-31-29(34-28)33-25-15-21-18-35(22-10-13-39-14-11-22)12-6-7-20(21)16-26(25)38-3/h4-5,8-9,15-17,19,22H,6-7,10-14,18H2,1-3H3,(H2,31,32,33,34)
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n/an/a 1n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM50116699
PNG
(CHEMBL3608642 | US10053458, 53)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
Show InChI InChI=1S/C29H37ClN6O3S/c1-19(2)40(37,38)27-9-5-4-8-24(27)33-28-23(30)17-32-29(35-28)34-25-15-20-7-6-14-36(22-10-12-31-13-11-22)18-21(20)16-26(25)39-3/h4-5,8-9,15-17,19,22,31H,6-7,10-14,18H2,1-3H3,(H2,32,33,34,35)
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n/an/a 1n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




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


(Homo sapiens (Human))
BDBM50116693
PNG
(CHEMBL3608531 | US10053458, 51)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(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)30-21-11-17-7-6-10-32(24(34)15-33)14-18(17)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 1n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50380946
PNG
(CHEMBL2016900)
Show SMILES Fc1ccc2[nH]c(=O)c(cc2c1)-c1nc2CCN(Cc2[nH]1)C(=O)c1cccnc1
Show InChI InChI=1S/C21H16FN5O2/c22-14-3-4-16-13(8-14)9-15(20(28)26-16)19-24-17-5-7-27(11-18(17)25-19)21(29)12-2-1-6-23-10-12/h1-4,6,8-10H,5,7,11H2,(H,24,25)(H,26,28)
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n/an/a 1n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR-2 kinase domain by homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 22: 2837-42 (2012)

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


(Homo sapiens (Human))
BDBM243431
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES COc1cc2CCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
Show InChI InChI=1S/C28H35ClN6O3S/c1-18(2)39(36,37)26-7-5-4-6-23(26)32-27-22(29)16-31-28(34-27)33-24-14-20-17-35(21-8-11-30-12-9-21)13-10-19(20)15-25(24)38-3/h4-7,14-16,18,21,30H,8-13,17H2,1-3H3,(H2,31,32,33,34)
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n/an/a 1n/an/an/an/an/an/a



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...


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


(Homo sapiens (Human))
BDBM243425
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES CCN1CCc2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C1
Show InChI InChI=1S/C25H30ClN5O3S/c1-5-31-11-10-17-13-22(34-4)21(12-18(17)15-31)29-25-27-14-19(26)24(30-25)28-20-8-6-7-9-23(20)35(32,33)16(2)3/h6-9,12-14,16H,5,10-11,15H2,1-4H3,(H2,27,28,29,30)
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n/an/a 1n/an/an/an/an/an/a



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...


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


(Homo sapiens (Human))
BDBM243373
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES COc1cc2CN(CCO)CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H30ClN5O4S/c1-16(2)36(33,34)23-7-5-4-6-20(23)28-24-19(26)14-27-25(30-24)29-21-12-17-8-9-31(10-11-32)15-18(17)13-22(21)35-3/h4-7,12-14,16,32H,8-11,15H2,1-3H3,(H2,27,28,29,30)
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n/an/a 1n/an/an/an/an/an/a



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...


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


(Homo sapiens (Human))
BDBM243376
PNG
(Preparation of 1-6-(5-chloro-4-(2-(isopropylsulfon...)
Show SMILES COc1cc2CN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO
Show InChI InChI=1S/C25H28ClN5O5S/c1-15(2)37(34,35)22-7-5-4-6-19(22)28-24-18(26)12-27-25(30-24)29-20-10-16-8-9-31(23(33)14-32)13-17(16)11-21(20)36-3/h4-7,10-12,15,32H,8-9,13-14H2,1-3H3,(H2,27,28,29,30)
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n/an/a 1n/an/an/an/an/an/a



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...


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


(Homo sapiens (Human))
BDBM243382
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES COc1cc2CNCC3(CCCC3)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H32ClN5O3S/c1-17(2)37(34,35)24-9-5-4-8-21(24)31-25-20(28)15-30-26(33-25)32-22-13-19-18(12-23(22)36-3)14-29-16-27(19)10-6-7-11-27/h4-5,8-9,12-13,15,17,29H,6-7,10-11,14,16H2,1-3H3,(H2,30,31,32,33)
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n/an/a 1n/an/an/an/an/an/a



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...


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


(Homo sapiens (Human))
BDBM243401
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES COc1cc2c(CCNC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H30ClN5O3S/c1-15(2)35(32,33)22-9-7-6-8-19(22)29-23-18(26)14-27-24(31-23)30-20-12-16-10-11-28-25(3,4)17(16)13-21(20)34-5/h6-9,12-15,28H,10-11H2,1-5H3,(H2,27,29,30,31)
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n/an/a 1n/an/an/an/an/an/a



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...


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


(Homo sapiens (Human))
BDBM243402
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES COc1cc2CCNCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H26ClN5O3S/c1-14(2)33(30,31)21-7-5-4-6-18(21)27-22-17(24)13-26-23(29-22)28-19-10-16-12-25-9-8-15(16)11-20(19)32-3/h4-7,10-11,13-14,25H,8-9,12H2,1-3H3,(H2,26,27,28,29)
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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...


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM243388
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES CC(C)COc1cc2CNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O3S/c1-16(2)15-35-23-12-19-13-28-10-9-18(19)11-22(23)31-26-29-14-20(27)25(32-26)30-21-7-5-6-8-24(21)36(33,34)17(3)4/h5-8,11-12,14,16-17,28H,9-10,13,15H2,1-4H3,(H2,29,30,31,32)
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n/an/a 1.20n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM50116693
PNG
(CHEMBL3608531 | US10053458, 51)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(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)30-21-11-17-7-6-10-32(24(34)15-33)14-18(17)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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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM50116685
PNG
(CHEMBL3608644 | US10053458, 54)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCOCC1
Show InChI InChI=1S/C29H36ClN5O4S/c1-19(2)40(36,37)27-9-5-4-8-24(27)32-28-23(30)17-31-29(34-28)33-25-15-20-7-6-12-35(22-10-13-39-14-11-22)18-21(20)16-26(25)38-3/h4-5,8-9,15-17,19,22H,6-7,10-14,18H2,1-3H3,(H2,31,32,33,34)
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50380967
PNG
(CHEMBL2016923)
Show SMILES O=C(Cc1ccccn1)N1CCc2nc([nH]c2C1)-c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H19N5O2/c28-20(12-15-6-3-4-9-23-15)27-10-8-18-19(13-27)25-21(24-18)16-11-14-5-1-2-7-17(14)26-22(16)29/h1-7,9,11H,8,10,12-13H2,(H,24,25)(H,26,29)
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n/an/a 1.30n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR-2 kinase domain by homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 22: 2837-42 (2012)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM243386
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES CC(C)Oc1cc2CNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H30ClN5O3S/c1-15(2)34-22-12-18-13-27-10-9-17(18)11-21(22)30-25-28-14-19(26)24(31-25)29-20-7-5-6-8-23(20)35(32,33)16(3)4/h5-8,11-12,14-16,27H,9-10,13H2,1-4H3,(H2,28,29,30,31)
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50380949
PNG
(CHEMBL2016904)
Show SMILES O=C(N1CCc2nc([nH]c2C1)-c1cc2ccccc2[nH]c1=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C28H29N5O2/c34-27-22(16-21-6-2-3-7-23(21)31-27)26-29-24-12-15-33(18-25(24)30-26)28(35)20-10-8-19(9-11-20)17-32-13-4-1-5-14-32/h2-3,6-11,16H,1,4-5,12-15,17-18H2,(H,29,30)(H,31,34)
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Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR-2 kinase domain by homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 22: 2837-42 (2012)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM243432
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES COc1cc2CCNC(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-14(2)34(31,32)22-8-6-5-7-19(22)28-23-18(25)13-27-24(30-23)29-20-12-17-15(3)26-10-9-16(17)11-21(20)33-4/h5-8,11-15,26H,9-10H2,1-4H3,(H2,27,28,29,30)
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM50116683
PNG
(CHEMBL3608526 | US10053458, 49)
Show SMILES CCN1CCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C1
Show InChI InChI=1S/C26H32ClN5O3S/c1-5-32-12-8-9-18-13-22(23(35-4)14-19(18)16-32)30-26-28-15-20(27)25(31-26)29-21-10-6-7-11-24(21)36(33,34)17(2)3/h6-7,10-11,13-15,17H,5,8-9,12,16H2,1-4H3,(H2,28,29,30,31)
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n/an/a 1.30n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50384038
PNG
(CHEMBL2032155)
Show SMILES Nc1ncc(cc1-c1nc2cccc(-c3ccccn3)c2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C25H23N7O/c26-24-20(12-16(13-29-24)17-14-30-32(15-17)18-7-10-27-11-8-18)25-31-22-6-3-4-19(23(22)33-25)21-5-1-2-9-28-21/h1-6,9,12-15,18,27H,7-8,10-11H2,(H2,26,29)
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n/an/a 1.60n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis


Bioorg Med Chem Lett 22: 4044-8 (2012)

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


(Homo sapiens (Human))
BDBM193503
PNG
(US9199944, 85)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H39ClN8O4/c1-21(41)37-12-14-39(15-13-37)23-4-6-25(27(18-23)42-2)33-29-24(31)20-32-30(35-29)34-26-7-5-22(19-28(26)43-3)38-10-8-36(9-11-38)16-17-40/h4-7,18-20,40H,8-17H2,1-3H3,(H2,32,33,34,35)
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n/an/a 2n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


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More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193475
PNG
(US9199944, 57)
Show SMILES CCNC(=O)N1CCN(CC1)c1ccc(Nc2nc(Nc3ccc(cc3OC)N3CCN(CC3)C(C)=O)ncc2C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C32H40F3N9O4/c1-5-36-31(46)44-16-14-43(15-17-44)22-6-8-25(27(18-22)47-3)38-29-24(32(33,34)35)20-37-30(40-29)39-26-9-7-23(19-28(26)48-4)42-12-10-41(11-13-42)21(2)45/h6-9,18-20H,5,10-17H2,1-4H3,(H,36,46)(H2,37,38,39,40)
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n/an/a 2n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM193476
PNG
(US9199944, 58)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)CO)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C31H37F3N8O5/c1-20(44)39-8-10-40(11-9-39)22-5-7-25(27(17-22)47-3)37-30-35-18-23(31(32,33)34)29(38-30)36-24-6-4-21(16-26(24)46-2)41-12-14-42(15-13-41)28(45)19-43/h4-7,16-18,43H,8-15,19H2,1-3H3,(H2,35,36,37,38)
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ...


Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM243401
PNG
(Preparation of 5-chloro-N4-(2-(isopropylsulfonyl)p...)
Show SMILES COc1cc2c(CCNC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H30ClN5O3S/c1-15(2)35(32,33)22-9-7-6-8-19(22)29-23-18(26)14-27-24(31-23)30-20-12-16-10-11-28-25(3,4)17(16)13-21(20)34-5/h6-9,12-15,28H,10-11H2,1-5H3,(H2,27,29,30,31)
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n/an/a 2n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50384004
PNG
(CHEMBL2032276)
Show SMILES Cc1cc2oc(nc2cc1O)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C21H22N6O2/c1-12-6-19-17(8-18(12)28)26-21(29-19)16-7-13(9-24-20(16)22)14-10-25-27(11-14)15-2-4-23-5-3-15/h6-11,15,23,28H,2-5H2,1H3,(H2,22,24)
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n/an/a 2n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3 by time resolved-fluorescence resonance energy transfer analysis


Bioorg Med Chem Lett 22: 4044-8 (2012)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50380972
PNG
(CHEMBL2016928)
Show SMILES Cc1cccc(NC(=O)N2CCc3nc([nH]c3C2)-c2cc3ccccc3[nH]c2=O)c1
Show InChI InChI=1S/C23H21N5O2/c1-14-5-4-7-16(11-14)24-23(30)28-10-9-19-20(13-28)26-21(25-19)17-12-15-6-2-3-8-18(15)27-22(17)29/h2-8,11-12H,9-10,13H2,1H3,(H,24,30)(H,25,26)(H,27,29)
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n/an/a 2.10n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR-2 kinase domain by homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 22: 2837-42 (2012)

More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM243390
PNG
(Preparation of 5-chloro-N2-(7-sec-butoxy-1,2,3,4-t...)
Show SMILES CCC(C)Oc1cc2CNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O3S/c1-5-17(4)35-23-13-19-14-28-11-10-18(19)12-22(23)31-26-29-15-20(27)25(32-26)30-21-8-6-7-9-24(21)36(33,34)16(2)3/h6-9,12-13,15-17,28H,5,10-11,14H2,1-4H3,(H2,29,30,31,32)
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n/an/a 2.30n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM50116687
PNG
(CHEMBL3608645 | US10053458, 55)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1COC1
Show InChI InChI=1S/C27H32ClN5O4S/c1-17(2)38(34,35)25-9-5-4-8-22(25)30-26-21(28)13-29-27(32-26)31-23-11-18-7-6-10-33(20-15-37-16-20)14-19(18)12-24(23)36-3/h4-5,8-9,11-13,17,20H,6-7,10,14-16H2,1-3H3,(H2,29,30,31,32)
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n/an/a 2.30n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




Citation and Details
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




Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor (L1196M)


(Homo sapiens (Human))
BDBM243381
PNG
(Preparation of 1-(6-(5-chloro-4-(2-(isopropylsulfo...)
Show SMILES COc1cc2CN(CC3(CCCC3)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H31ClF3N5O4S/c1-17(2)43(40,41)24-9-5-4-8-21(24)35-25-20(30)14-34-27(37-25)36-22-13-19-18(12-23(22)42-3)15-38(26(39)29(31,32)33)16-28(19)10-6-7-11-28/h4-5,8-9,12-14,17H,6-7,10-11,15-16H2,1-3H3,(H2,34,35,36,37)
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KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent




Citation and Details
More data for this
Ligand-Target Pair
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