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PubMed code 27474925

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
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
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50204615
PNG
(CHEMBL3921664)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(F)cc2)ncc1Cl
Show InChI InChI=1S/C20H19ClFN5O2S/c1-13(2)30(28,29)18-6-4-3-5-17(18)25-19-16(21)12-23-20(26-19)27-24-11-14-7-9-15(22)10-8-14/h3-13H,1-2H3,(H2,23,25,26,27)/b24-11+
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n/an/a 1.80n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(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 2n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50204639
PNG
(CHEMBL3894726)
Show SMILES COc1ccc(\C=N\Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1
Show InChI InChI=1S/C21H22ClN5O3S/c1-14(2)31(28,29)19-7-5-4-6-18(19)25-20-17(22)13-23-21(26-20)27-24-12-15-8-10-16(30-3)11-9-15/h4-14H,1-3H3,(H2,23,25,26,27)/b24-12+
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
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 2.30n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50204615
PNG
(CHEMBL3921664)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(F)cc2)ncc1Cl
Show InChI InChI=1S/C20H19ClFN5O2S/c1-13(2)30(28,29)18-6-4-3-5-17(18)25-19-16(21)12-23-20(26-19)27-24-11-14-7-9-15(22)10-8-14/h3-13H,1-2H3,(H2,23,25,26,27)/b24-11+
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50204616
PNG
(CHEMBL3922762)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C(/C)c2ccc(F)cc2)ncc1Cl
Show InChI InChI=1S/C21H21ClFN5O2S/c1-13(2)31(29,30)19-7-5-4-6-18(19)25-20-17(22)12-24-21(26-20)28-27-14(3)15-8-10-16(23)11-9-15/h4-13H,1-3H3,(H2,24,25,26,28)/b27-14+
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50204616
PNG
(CHEMBL3922762)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C(/C)c2ccc(F)cc2)ncc1Cl
Show InChI InChI=1S/C21H21ClFN5O2S/c1-13(2)31(29,30)19-7-5-4-6-18(19)25-20-17(22)12-24-21(26-20)28-27-14(3)15-8-10-16(23)11-9-15/h4-13H,1-3H3,(H2,24,25,26,28)/b27-14+
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50204619
PNG
(CHEMBL3893810)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(cc2)C(F)(F)F)ncc1Cl
Show InChI InChI=1S/C21H19ClF3N5O2S/c1-13(2)33(31,32)18-6-4-3-5-17(18)28-19-16(22)12-26-20(29-19)30-27-11-14-7-9-15(10-8-14)21(23,24)25/h3-13H,1-2H3,(H2,26,28,29,30)/b27-11+
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50204619
PNG
(CHEMBL3893810)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(cc2)C(F)(F)F)ncc1Cl
Show InChI InChI=1S/C21H19ClF3N5O2S/c1-13(2)33(31,32)18-6-4-3-5-17(18)28-19-16(22)12-26-20(29-19)30-27-11-14-7-9-15(10-8-14)21(23,24)25/h3-13H,1-2H3,(H2,26,28,29,30)/b27-11+
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50204620
PNG
(CHEMBL3950479)
Show SMILES COc1ccc(cc1)C(\C)=N\Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H24ClN5O3S/c1-14(2)32(29,30)20-8-6-5-7-19(20)25-21-18(23)13-24-22(26-21)28-27-15(3)16-9-11-17(31-4)12-10-16/h5-14H,1-4H3,(H2,24,25,26,28)/b27-15+
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50204639
PNG
(CHEMBL3894726)
Show SMILES COc1ccc(\C=N\Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1
Show InChI InChI=1S/C21H22ClN5O3S/c1-14(2)31(28,29)19-7-5-4-6-18(19)25-20-17(22)13-23-21(26-20)27-24-12-15-8-10-16(30-3)11-9-15/h4-14H,1-3H3,(H2,23,25,26,27)/b24-12+
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50204620
PNG
(CHEMBL3950479)
Show SMILES COc1ccc(cc1)C(\C)=N\Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H24ClN5O3S/c1-14(2)32(29,30)20-8-6-5-7-19(20)25-21-18(23)13-24-22(26-21)28-27-15(3)16-9-11-17(31-4)12-10-16/h5-14H,1-4H3,(H2,24,25,26,28)/b27-15+
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50204618
PNG
(CHEMBL3934594)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2cccc(c2)C(F)(F)F)ncc1Cl
Show InChI InChI=1S/C21H19ClF3N5O2S/c1-13(2)33(31,32)18-9-4-3-8-17(18)28-19-16(22)12-26-20(29-19)30-27-11-14-6-5-7-15(10-14)21(23,24)25/h3-13H,1-2H3,(H2,26,28,29,30)/b27-11+
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50204618
PNG
(CHEMBL3934594)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2cccc(c2)C(F)(F)F)ncc1Cl
Show InChI InChI=1S/C21H19ClF3N5O2S/c1-13(2)33(31,32)18-9-4-3-8-17(18)28-19-16(22)12-26-20(29-19)30-27-11-14-6-5-7-15(10-14)21(23,24)25/h3-13H,1-2H3,(H2,26,28,29,30)/b27-11+
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50204614
PNG
(CHEMBL3913728)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(OC(F)(F)F)cc2)ncc1Cl
Show InChI InChI=1S/C21H19ClF3N5O3S/c1-13(2)34(31,32)18-6-4-3-5-17(18)28-19-16(22)12-26-20(29-19)30-27-11-14-7-9-15(10-8-14)33-21(23,24)25/h3-13H,1-2H3,(H2,26,28,29,30)/b27-11+
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50204614
PNG
(CHEMBL3913728)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(OC(F)(F)F)cc2)ncc1Cl
Show InChI InChI=1S/C21H19ClF3N5O3S/c1-13(2)34(31,32)18-6-4-3-5-17(18)28-19-16(22)12-26-20(29-19)30-27-11-14-7-9-15(10-8-14)33-21(23,24)25/h3-13H,1-2H3,(H2,26,28,29,30)/b27-11+
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50204617
PNG
(CHEMBL3905284)
Show SMILES COc1cccc(\C=N\Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C21H22ClN5O3S/c1-14(2)31(28,29)19-10-5-4-9-18(19)25-20-17(22)13-23-21(26-20)27-24-12-15-7-6-8-16(11-15)30-3/h4-14H,1-3H3,(H2,23,25,26,27)/b24-12+
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50204617
PNG
(CHEMBL3905284)
Show SMILES COc1cccc(\C=N\Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C21H22ClN5O3S/c1-14(2)31(28,29)19-10-5-4-9-18(19)25-20-17(22)13-23-21(26-20)27-24-12-15-7-6-8-16(11-15)30-3/h4-14H,1-3H3,(H2,23,25,26,27)/b24-12+
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n/an/a 6.20n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a 6.5n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50204639
PNG
(CHEMBL3894726)
Show SMILES COc1ccc(\C=N\Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1
Show InChI InChI=1S/C21H22ClN5O3S/c1-14(2)31(28,29)19-7-5-4-6-18(19)25-20-17(22)13-23-21(26-20)27-24-12-15-8-10-16(30-3)11-9-15/h4-14H,1-3H3,(H2,23,25,26,27)/b24-12+
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n/an/a 157n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50204615
PNG
(CHEMBL3921664)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(F)cc2)ncc1Cl
Show InChI InChI=1S/C20H19ClFN5O2S/c1-13(2)30(28,29)18-6-4-3-5-17(18)25-19-16(21)12-23-20(26-19)27-24-11-14-7-9-15(22)10-8-14/h3-13H,1-2H3,(H2,23,25,26,27)/b24-11+
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n/an/a 220n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50204617
PNG
(CHEMBL3905284)
Show SMILES COc1cccc(\C=N\Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C21H22ClN5O3S/c1-14(2)31(28,29)19-10-5-4-9-18(19)25-20-17(22)13-23-21(26-20)27-24-12-15-7-6-8-16(11-15)30-3/h4-14H,1-3H3,(H2,23,25,26,27)/b24-12+
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n/an/a 376n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50204619
PNG
(CHEMBL3893810)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(cc2)C(F)(F)F)ncc1Cl
Show InChI InChI=1S/C21H19ClF3N5O2S/c1-13(2)33(31,32)18-6-4-3-5-17(18)28-19-16(22)12-26-20(29-19)30-27-11-14-7-9-15(10-8-14)21(23,24)25/h3-13H,1-2H3,(H2,26,28,29,30)/b27-11+
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n/an/a 380n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50204614
PNG
(CHEMBL3913728)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(OC(F)(F)F)cc2)ncc1Cl
Show InChI InChI=1S/C21H19ClF3N5O3S/c1-13(2)34(31,32)18-6-4-3-5-17(18)28-19-16(22)12-26-20(29-19)30-27-11-14-7-9-15(10-8-14)33-21(23,24)25/h3-13H,1-2H3,(H2,26,28,29,30)/b27-11+
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n/an/a 393n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50204618
PNG
(CHEMBL3934594)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2cccc(c2)C(F)(F)F)ncc1Cl
Show InChI InChI=1S/C21H19ClF3N5O2S/c1-13(2)33(31,32)18-9-4-3-8-17(18)28-19-16(22)12-26-20(29-19)30-27-11-14-6-5-7-15(10-14)21(23,24)25/h3-13H,1-2H3,(H2,26,28,29,30)/b27-11+
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n/an/a 460n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50204618
PNG
(CHEMBL3934594)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2cccc(c2)C(F)(F)F)ncc1Cl
Show InChI InChI=1S/C21H19ClF3N5O2S/c1-13(2)33(31,32)18-9-4-3-8-17(18)28-19-16(22)12-26-20(29-19)30-27-11-14-6-5-7-15(10-14)21(23,24)25/h3-13H,1-2H3,(H2,26,28,29,30)/b27-11+
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n/an/a 479n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50204615
PNG
(CHEMBL3921664)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(F)cc2)ncc1Cl
Show InChI InChI=1S/C20H19ClFN5O2S/c1-13(2)30(28,29)18-6-4-3-5-17(18)25-19-16(21)12-23-20(26-19)27-24-11-14-7-9-15(22)10-8-14/h3-13H,1-2H3,(H2,23,25,26,27)/b24-11+
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n/an/a 570n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50204639
PNG
(CHEMBL3894726)
Show SMILES COc1ccc(\C=N\Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1
Show InChI InChI=1S/C21H22ClN5O3S/c1-14(2)31(28,29)19-7-5-4-6-18(19)25-20-17(22)13-23-21(26-20)27-24-12-15-8-10-16(30-3)11-9-15/h4-14H,1-3H3,(H2,23,25,26,27)/b24-12+
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n/an/a 587n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50204619
PNG
(CHEMBL3893810)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(cc2)C(F)(F)F)ncc1Cl
Show InChI InChI=1S/C21H19ClF3N5O2S/c1-13(2)33(31,32)18-6-4-3-5-17(18)28-19-16(22)12-26-20(29-19)30-27-11-14-7-9-15(10-8-14)21(23,24)25/h3-13H,1-2H3,(H2,26,28,29,30)/b27-11+
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n/an/a 593n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50204617
PNG
(CHEMBL3905284)
Show SMILES COc1cccc(\C=N\Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
Show InChI InChI=1S/C21H22ClN5O3S/c1-14(2)31(28,29)19-10-5-4-9-18(19)25-20-17(22)13-23-21(26-20)27-24-12-15-7-6-8-16(11-15)30-3/h4-14H,1-3H3,(H2,23,25,26,27)/b24-12+
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n/an/a 601n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50204614
PNG
(CHEMBL3913728)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(OC(F)(F)F)cc2)ncc1Cl
Show InChI InChI=1S/C21H19ClF3N5O3S/c1-13(2)34(31,32)18-6-4-3-5-17(18)28-19-16(22)12-26-20(29-19)30-27-11-14-7-9-15(10-8-14)33-21(23,24)25/h3-13H,1-2H3,(H2,26,28,29,30)/b27-11+
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n/an/a 898n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50204620
PNG
(CHEMBL3950479)
Show SMILES COc1ccc(cc1)C(\C)=N\Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H24ClN5O3S/c1-14(2)32(29,30)20-8-6-5-7-19(20)25-21-18(23)13-24-22(26-21)28-27-15(3)16-9-11-17(31-4)12-10-16/h5-14H,1-4H3,(H2,24,25,26,28)/b27-15+
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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Epidermal growth factor 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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Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50204616
PNG
(CHEMBL3922762)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C(/C)c2ccc(F)cc2)ncc1Cl
Show InChI InChI=1S/C21H21ClFN5O2S/c1-13(2)31(29,30)19-7-5-4-6-18(19)25-20-17(22)12-24-21(26-20)28-27-14(3)15-8-10-16(23)11-9-15/h4-13H,1-3H3,(H2,24,25,26,28)/b27-14+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50204620
PNG
(CHEMBL3950479)
Show SMILES COc1ccc(cc1)C(\C)=N\Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H24ClN5O3S/c1-14(2)32(29,30)20-8-6-5-7-19(20)25-21-18(23)13-24-22(26-21)28-27-15(3)16-9-11-17(31-4)12-10-16/h5-14H,1-4H3,(H2,24,25,26,28)/b27-15+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Hepatocyte growth factor 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>1.00E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50204616
PNG
(CHEMBL3922762)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C(/C)c2ccc(F)cc2)ncc1Cl
Show InChI InChI=1S/C21H21ClFN5O2S/c1-13(2)31(29,30)19-7-5-4-6-18(19)25-20-17(22)12-24-21(26-20)28-27-14(3)15-8-10-16(23)11-9-15/h4-13H,1-3H3,(H2,24,25,26,28)/b27-14+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using peptide as substrate after 60 mins by HTRF assay


Eur J Med Chem 123: 80-89 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.056
BindingDB Entry DOI: 10.7270/Q2MK6FVX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%