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Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'yun' and Initial = 'ji'   
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243402
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(6-me...)
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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n/an/a 0.240n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of crizotinib-resistant ALK G1269A mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescenc...

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243402
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(6-me...)
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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n/an/a 0.450n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of crizotinib-resistant ALK C1156Y mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescenc...

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243402
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(6-me...)
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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n/an/a 0.460n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of crizotinib-resistant ALK F1174L mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescenc...

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243386
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(7-is...)
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 0.540n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243376
PNG
(1-6-(5-chloro-4-(2-(isopropylsulfonyl)phenylamino)...)
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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TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243425
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(6-me...)
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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TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243402
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(6-me...)
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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TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243373
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(7-me...)
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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TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243370
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl-N2-(7-met...)
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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TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243390
PNG
(5-chloro-N2-(7-sec-butoxy-1,2,3,4-tetrahydroisoqui...)
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 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243388
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(7-is...)
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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TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243388
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(7-is...)
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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TBA

Assay Description
Inhibition of crizotinib-resistant ALK L1196M mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescenc...

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243402
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(6-me...)
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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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of crizotinib-resistant ALK G1202R mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescenc...

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50558020
PNG
(CHEMBL4762215)
Show SMILES [I-].COc1cc2C[N+](C)(C)CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243370
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl-N2-(7-met...)
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 1.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of crizotinib-resistant ALK G1269A mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescenc...

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243406
PNG
(2-(7-(5-chloro-4-(2-(isopropylsulfonyl)phenylamino...)
Show SMILES COc1cc2CCN(CCO)Cc2cc1Nc1ncc(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)29-21-12-18-15-31(10-11-32)9-8-17(18)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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TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50358288
PNG
(CHEMBL1922404)
Show SMILES Cn1cc(cn1)-c1ccc2nnc(Cc3cccc4c3cc[nH]c4=O)n2n1
Show InChI InChI=1S/C19H15N7O/c1-25-11-13(10-21-25)16-5-6-17-22-23-18(26(17)24-16)9-12-3-2-4-15-14(12)7-8-20-19(15)27/h2-8,10-11H,9H2,1H3,(H,20,27)
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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 c-met by HTRF assay

Bioorg Med Chem Lett 21: 7185-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.066
BindingDB Entry DOI: 10.7270/Q24Q7VDG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50358291
PNG
(CHEMBL1922406)
Show SMILES OCCn1cc(cn1)-c1ccc2nnc(Cc3cccc4c3cc[nH]c4=O)n2n1
Show InChI InChI=1S/C20H17N7O2/c28-9-8-26-12-14(11-22-26)17-4-5-18-23-24-19(27(18)25-17)10-13-2-1-3-16-15(13)6-7-21-20(16)29/h1-7,11-12,28H,8-10H2,(H,21,29)
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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 c-met by HTRF assay

Bioorg Med Chem Lett 21: 7185-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.066
BindingDB Entry DOI: 10.7270/Q24Q7VDG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243374
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(7-me...)
Show SMILES COc1cc2CN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O
Show InChI InChI=1S/C25H28ClN5O4S/c1-15(2)36(33,34)23-8-6-5-7-20(23)28-24-19(26)13-27-25(30-24)29-21-11-17-9-10-31(16(3)32)14-18(17)12-22(21)35-4/h5-8,11-13,15H,9-10,14H2,1-4H3,(H2,27,28,29,30)
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TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243375
PNG
(6-(5-chloro-4-(2-(isopropylsulfonyl)phenylamino)py...)
Show SMILES CCNC(=O)N1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C1
Show InChI InChI=1S/C26H31ClN6O4S/c1-5-28-26(34)33-11-10-17-12-21(22(37-4)13-18(17)15-33)31-25-29-14-19(27)24(32-25)30-20-8-6-7-9-23(20)38(35,36)16(2)3/h6-9,12-14,16H,5,10-11,15H2,1-4H3,(H,28,34)(H2,29,30,31,32)
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TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243370
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl-N2-(7-met...)
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 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of crizotinib-resistant ALK F1174L mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescenc...

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
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 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of crizotinib-resistant ALK G1269A mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescenc...

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243390
PNG
(5-chloro-N2-(7-sec-butoxy-1,2,3,4-tetrahydroisoqui...)
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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TBA

Assay Description
Inhibition of crizotinib-resistant ALK L1196M mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescenc...

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
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 2.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of crizotinib-resistant ALK F1174L mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescenc...

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243428
PNG
(2-(7-(5-chloro-4-(2-(isopropylsulfonyl)phenylamino...)
Show SMILES COc1cc2CCN(CC(=O)N(C)C)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H33ClN6O4S/c1-17(2)39(36,37)24-9-7-6-8-21(24)30-26-20(28)14-29-27(32-26)31-22-12-19-15-34(16-25(35)33(3)4)11-10-18(19)13-23(22)38-5/h6-9,12-14,17H,10-11,15-16H2,1-5H3,(H2,29,30,31,32)
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TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243370
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl-N2-(7-met...)
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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TBA

Assay Description
Inhibition of crizotinib-resistant ALK C1156Y mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescenc...

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243372
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(7-me...)
Show SMILES CCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C1
Show InChI InChI=1S/C25H30ClN5O3S/c1-5-31-11-10-17-12-21(22(34-4)13-18(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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TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243378
PNG
(2-(6-(5-chloro-4-(2-(isopropylsulfonyl)phenylamino...)
Show SMILES COc1cc2CN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H33ClN6O4S/c1-17(2)39(36,37)24-9-7-6-8-21(24)30-26-20(28)14-29-27(32-26)31-22-12-18-10-11-34(16-25(35)33(3)4)15-19(18)13-23(22)38-5/h6-9,12-14,17H,10-11,15-16H2,1-5H3,(H2,29,30,31,32)
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TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50358289
PNG
(CHEMBL1922405)
Show SMILES O=c1[nH]ccc2c(Cc3nnc4ccc(nn34)-c3ccccc3)cccc12
Show InChI InChI=1S/C21H15N5O/c27-21-17-8-4-7-15(16(17)11-12-22-21)13-20-24-23-19-10-9-18(25-26(19)20)14-5-2-1-3-6-14/h1-12H,13H2,(H,22,27)
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Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-met by HTRF assay

Bioorg Med Chem Lett 21: 7185-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.066
BindingDB Entry DOI: 10.7270/Q24Q7VDG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50358301
PNG
(CHEMBL1922416)
Show SMILES Fc1cccc(c1)-c1ccc2nnc(Cc3cccc4c3cc[nH]c4=O)n2n1
Show InChI InChI=1S/C21H14FN5O/c22-15-5-1-4-14(11-15)18-7-8-19-24-25-20(27(19)26-18)12-13-3-2-6-17-16(13)9-10-23-21(17)28/h1-11H,12H2,(H,23,28)
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Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-met by HTRF assay

Bioorg Med Chem Lett 21: 7185-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.066
BindingDB Entry DOI: 10.7270/Q24Q7VDG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50358304
PNG
(CHEMBL1922419)
Show SMILES Oc1cccc(c1)-c1ccc2nnc(Cc3cccc4c3cc[nH]c4=O)n2n1
Show InChI InChI=1S/C21H15N5O2/c27-15-5-1-4-14(11-15)18-7-8-19-23-24-20(26(19)25-18)12-13-3-2-6-17-16(13)9-10-22-21(17)28/h1-11,27H,12H2,(H,22,28)
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n/an/a 3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-met by HTRF assay

Bioorg Med Chem Lett 21: 7185-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.066
BindingDB Entry DOI: 10.7270/Q24Q7VDG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50358303
PNG
(CHEMBL1922418)
Show SMILES O=c1[nH]ccc2c(Cc3nnc4ccc(nn34)-c3cccc(c3)C#N)cccc12
Show InChI InChI=1S/C22H14N6O/c23-13-14-3-1-5-16(11-14)19-7-8-20-25-26-21(28(20)27-19)12-15-4-2-6-18-17(15)9-10-24-22(18)29/h1-11H,12H2,(H,24,29)
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Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-met by HTRF assay

Bioorg Med Chem Lett 21: 7185-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.066
BindingDB Entry DOI: 10.7270/Q24Q7VDG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243403
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(6-me...)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-8-6-5-7-19(22)27-23-18(25)13-26-24(29-23)28-20-11-17-14-30(3)10-9-16(17)12-21(20)33-4/h5-8,11-13,15H,9-10,14H2,1-4H3,(H2,26,27,28,29)
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TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50558020
PNG
(CHEMBL4762215)
Show SMILES [I-].COc1cc2C[N+](C)(C)CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
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n/an/a 3.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of crizotinib-resistant ALK L1196M mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescenc...

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243423
PNG
(1-(7-(5-chloro-4-(2-(isopropylsulfonyl)phenylamino...)
Show SMILES COc1cc2CCN(Cc2cc1Nc1ncc(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)29-20-10-17-13-31(23(33)14-32)9-8-16(17)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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TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50358299
PNG
(CHEMBL1922414)
Show SMILES Clc1ccccc1-c1ccc2nnc(Cc3cccc4c3cc[nH]c4=O)n2n1
Show InChI InChI=1S/C21H14ClN5O/c22-17-7-2-1-5-16(17)18-8-9-19-24-25-20(27(19)26-18)12-13-4-3-6-15-14(13)10-11-23-21(15)28/h1-11H,12H2,(H,23,28)
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Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-met by HTRF assay

Bioorg Med Chem Lett 21: 7185-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.066
BindingDB Entry DOI: 10.7270/Q24Q7VDG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50358302
PNG
(CHEMBL1922417)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc2nnc(Cc3cccc4c3cc[nH]c4=O)n2n1
Show InChI InChI=1S/C21H14N6O3/c28-21-17-6-2-3-13(16(17)9-10-22-21)12-20-24-23-19-8-7-18(25-26(19)20)14-4-1-5-15(11-14)27(29)30/h1-11H,12H2,(H,22,28)
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n/an/a 4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-met by HTRF assay

Bioorg Med Chem Lett 21: 7185-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.066
BindingDB Entry DOI: 10.7270/Q24Q7VDG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50358295
PNG
(CHEMBL1922410)
Show SMILES O=c1[nH]ccc2c(Cc3nnc4ccc(nn34)-c3ccsc3)cccc12
Show InChI InChI=1S/C19H13N5OS/c25-19-15-3-1-2-12(14(15)6-8-20-19)10-18-22-21-17-5-4-16(23-24(17)18)13-7-9-26-11-13/h1-9,11H,10H2,(H,20,25)
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Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-met by HTRF assay

Bioorg Med Chem Lett 21: 7185-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.066
BindingDB Entry DOI: 10.7270/Q24Q7VDG
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 4.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of crizotinib-resistant ALK C1156Y mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescenc...

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243407
PNG
(1-(7-(5-chloro-4-(2-(isopropylsulfonyl)phenylamino...)
Show SMILES COc1cc2CCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O
Show InChI InChI=1S/C25H28ClN5O4S/c1-15(2)36(33,34)23-8-6-5-7-20(23)28-24-19(26)13-27-25(30-24)29-21-11-18-14-31(16(3)32)10-9-17(18)12-22(21)35-4/h5-8,11-13,15H,9-10,14H2,1-4H3,(H2,27,28,29,30)
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50358290
PNG
(CHEMBL1921807)
Show SMILES O=c1[nH]ccc2c(Cc3nnc4ccc(nn34)-c3cn[nH]c3)cccc12
Show InChI InChI=1S/C18H13N7O/c26-18-14-3-1-2-11(13(14)6-7-19-18)8-17-23-22-16-5-4-15(24-25(16)17)12-9-20-21-10-12/h1-7,9-10H,8H2,(H,19,26)(H,20,21)
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n/an/a 5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-met by HTRF assay

Bioorg Med Chem Lett 21: 7185-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.066
BindingDB Entry DOI: 10.7270/Q24Q7VDG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50358296
PNG
(CHEMBL1922411)
Show SMILES O=c1[nH]ccc2c(Cc3nnc4ccc(nn34)-c3cccnc3)cccc12
Show InChI InChI=1S/C20H14N6O/c27-20-16-5-1-3-13(15(16)8-10-22-20)11-19-24-23-18-7-6-17(25-26(18)19)14-4-2-9-21-12-14/h1-10,12H,11H2,(H,22,27)
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n/an/a 5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-met by HTRF assay

Bioorg Med Chem Lett 21: 7185-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.066
BindingDB Entry DOI: 10.7270/Q24Q7VDG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50358305
PNG
(CHEMBL1922420)
Show SMILES COc1cccc(c1)-c1ccc2nnc(Cc3cccc4c3cc[nH]c4=O)n2n1
Show InChI InChI=1S/C22H17N5O2/c1-29-16-6-2-5-15(12-16)19-8-9-20-24-25-21(27(20)26-19)13-14-4-3-7-18-17(14)10-11-23-22(18)28/h2-12H,13H2,1H3,(H,23,28)
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n/an/a 5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-met by HTRF assay

Bioorg Med Chem Lett 21: 7185-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.066
BindingDB Entry DOI: 10.7270/Q24Q7VDG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243370
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl-N2-(7-met...)
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 5.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of crizotinib-resistant ALK G1202R mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescenc...

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50358300
PNG
(CHEMBL1922415)
Show SMILES Clc1cccc(c1)-c1ccc2nnc(Cc3cccc4c3cc[nH]c4=O)n2n1
Show InChI InChI=1S/C21H14ClN5O/c22-15-5-1-4-14(11-15)18-7-8-19-24-25-20(27(19)26-18)12-13-3-2-6-17-16(13)9-10-23-21(17)28/h1-11H,12H2,(H,23,28)
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n/an/a 7n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-met by HTRF assay

Bioorg Med Chem Lett 21: 7185-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.066
BindingDB Entry DOI: 10.7270/Q24Q7VDG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243402
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(6-me...)
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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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of crizotinib-resistant ALK L1196M mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescenc...

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243377
PNG
(6-(5-chloro-4-(2-(isopropylsulfonyl)phenylamino)py...)
Show SMILES COc1cc2CN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)S(N)(=O)=O
Show InChI InChI=1S/C23H27ClN6O5S2/c1-14(2)36(31,32)21-7-5-4-6-18(21)27-22-17(24)12-26-23(29-22)28-19-10-15-8-9-30(37(25,33)34)13-16(15)11-20(19)35-3/h4-7,10-12,14H,8-9,13H2,1-3H3,(H2,25,33,34)(H2,26,27,28,29)
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50558019
PNG
(CHEMBL4777614)
Show SMILES COc1cc2C=NCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |c:5|
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n/an/a 7.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243424
PNG
(7-(5-chloro-4-(2-(isopropylsulfonyl)phenylamino)py...)
Show SMILES COc1cc2CCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)S(N)(=O)=O
Show InChI InChI=1S/C23H27ClN6O5S2/c1-14(2)36(31,32)21-7-5-4-6-18(21)27-22-17(24)12-26-23(29-22)28-19-10-16-13-30(37(25,33)34)9-8-15(16)11-20(19)35-3/h4-7,10-12,14H,8-9,13H2,1-3H3,(H2,25,33,34)(H2,26,27,28,29)
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243406
PNG
(2-(7-(5-chloro-4-(2-(isopropylsulfonyl)phenylamino...)
Show SMILES COc1cc2CCN(CCO)Cc2cc1Nc1ncc(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)29-21-12-18-15-31(10-11-32)9-8-17(18)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 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of crizotinib-resistant ALK L1196M mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescenc...

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
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