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PubMed code 27839788

Compile data set for download or QSAR
Found 60 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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232042
PNG
(CHEMBL4060295)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)c(C)c2)ncn1
Show InChI InChI=1S/C20H24N6O3/c1-12-8-13(28-18-10-16(21-5)22-11-23-18)6-7-14(12)24-19(27)25-17-9-15(29-26-17)20(2,3)4/h6-11H,1-5H3,(H,21,22,23)(H2,24,25,26,27)
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n/an/a 28n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232019
PNG
(CHEMBL4088518)
Show SMILES Cc1cc(Oc2cc(ncn2)N2CCOCC2)ccc1NC(=O)Nc1cc(on1)C(C)(C)C
Show InChI InChI=1S/C23H28N6O4/c1-15-11-16(32-21-13-20(24-14-25-21)29-7-9-31-10-8-29)5-6-17(15)26-22(30)27-19-12-18(33-28-19)23(2,3)4/h5-6,11-14H,7-10H2,1-4H3,(H2,26,27,28,30)
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n/an/a 51n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232032
PNG
(CHEMBL4103211)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2F)ncn1
Show InChI InChI=1S/C19H21FN6O3/c1-19(2,3)14-8-16(26-29-14)25-18(27)24-11-5-6-13(12(20)7-11)28-17-9-15(21-4)22-10-23-17/h5-10H,1-4H3,(H,21,22,23)(H2,24,25,26,27)
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n/an/a 53n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232018
PNG
(CHEMBL4088654)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(C)c2)ncn1
Show InChI InChI=1S/C20H17ClF3N5O2/c1-11-7-13(31-18-9-17(25-2)26-10-27-18)4-6-16(11)29-19(30)28-12-3-5-15(21)14(8-12)20(22,23)24/h3-10H,1-2H3,(H,25,26,27)(H2,28,29,30)
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n/an/a 71n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232028
PNG
(CHEMBL4065359)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3cc(ncn3)N3CCOCC3)c(F)c2)no1
Show InChI InChI=1S/C22H25FN6O4/c1-22(2,3)17-11-18(28-33-17)27-21(30)26-14-4-5-16(15(23)10-14)32-20-12-19(24-13-25-20)29-6-8-31-9-7-29/h4-5,10-13H,6-9H2,1-3H3,(H2,26,27,28,30)
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n/an/a 76n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232031
PNG
(CHEMBL4093023)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3cc(ncn3)N3CCCCC3)c(F)c2)no1
Show InChI InChI=1S/C23H27FN6O3/c1-23(2,3)18-12-19(29-33-18)28-22(31)27-15-7-8-17(16(24)11-15)32-21-13-20(25-14-26-21)30-9-5-4-6-10-30/h7-8,11-14H,4-6,9-10H2,1-3H3,(H2,27,28,29,31)
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n/an/a 89n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232025
PNG
(CHEMBL4097299)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2F)ncn1
Show InChI InChI=1S/C19H14ClF4N5O2/c1-25-16-8-17(27-9-26-16)31-15-5-3-11(7-14(15)21)29-18(30)28-10-2-4-13(20)12(6-10)19(22,23)24/h2-9H,1H3,(H,25,26,27)(H2,28,29,30)
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n/an/a 99n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232039
PNG
(CHEMBL4066096)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2F)ncn1
Show InChI InChI=1S/C19H15F4N5O2/c1-24-16-9-17(26-10-25-16)30-15-6-5-13(8-14(15)20)28-18(29)27-12-4-2-3-11(7-12)19(21,22)23/h2-10H,1H3,(H,24,25,26)(H2,27,28,29)
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n/an/a 169n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232015
PNG
(CHEMBL4059521)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2F)ncn1
Show InChI InChI=1S/C18H15BrFN5O2/c1-21-16-9-17(23-10-22-16)27-15-7-6-13(8-14(15)20)25-18(26)24-12-4-2-11(19)3-5-12/h2-10H,1H3,(H,21,22,23)(H2,24,25,26)
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n/an/a 272n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232016
PNG
(CHEMBL4098693)
Show SMILES Cc1cc(NC(=O)Nc2cc(on2)C(C)(C)C)ccc1Oc1cc(ncn1)N1CCCCC1
Show InChI InChI=1S/C24H30N6O3/c1-16-12-17(27-23(31)28-20-13-19(33-29-20)24(2,3)4)8-9-18(16)32-22-14-21(25-15-26-22)30-10-6-5-7-11-30/h8-9,12-15H,5-7,10-11H2,1-4H3,(H2,27,28,29,31)
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n/an/a 327n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232036
PNG
(CHEMBL4084225)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3cccc(Br)c3)c(C)c2)ncn1
Show InChI InChI=1S/C19H18BrN5O2/c1-12-8-15(27-18-10-17(21-2)22-11-23-18)6-7-16(12)25-19(26)24-14-5-3-4-13(20)9-14/h3-11H,1-2H3,(H,21,22,23)(H2,24,25,26)
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n/an/a 374n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232026
PNG
(CHEMBL4096368)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3)c(C)c2)ncn1
Show InChI InChI=1S/C19H18ClN5O2/c1-12-9-15(27-18-10-17(21-2)22-11-23-18)7-8-16(12)25-19(26)24-14-5-3-13(20)4-6-14/h3-11H,1-2H3,(H,21,22,23)(H2,24,25,26)
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n/an/a 670n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232020
PNG
(CHEMBL4080651)
Show SMILES Cc1cc(NC(=O)Nc2cc(on2)C(C)(C)C)ccc1Oc1cc(ncn1)N1CCOCC1
Show InChI InChI=1S/C23H28N6O4/c1-15-11-16(26-22(30)27-19-12-18(33-28-19)23(2,3)4)5-6-17(15)32-21-13-20(24-14-25-21)29-7-9-31-10-8-29/h5-6,11-14H,7-10H2,1-4H3,(H2,26,27,28,30)
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n/an/a 690n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232017
PNG
(CHEMBL4085284)
Show SMILES CNc1cc(Oc2ccc(NC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)c(C)c2)ncn1
Show InChI InChI=1S/C20H17ClF3N5OS/c1-11-7-13(30-18-9-17(25-2)26-10-27-18)4-6-16(11)29-19(31)28-12-3-5-15(21)14(8-12)20(22,23)24/h3-10H,1-2H3,(H,25,26,27)(H2,28,29,31)
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n/an/a 770n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232042
PNG
(CHEMBL4060295)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)c(C)c2)ncn1
Show InChI InChI=1S/C20H24N6O3/c1-12-8-13(28-18-10-16(21-5)22-11-23-18)6-7-14(12)24-19(27)25-17-9-15(29-26-17)20(2,3)4/h6-11H,1-5H3,(H,21,22,23)(H2,24,25,26,27)
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n/an/a 790n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50231967
PNG
(CHEMBL4095456)
Show SMILES CNc1cc(Oc2ccc(NC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2F)ncn1
Show InChI InChI=1S/C19H14ClF4N5OS/c1-25-16-8-17(27-9-26-16)30-15-5-3-11(7-14(15)21)29-18(31)28-10-2-4-13(20)12(6-10)19(22,23)24/h2-9H,1H3,(H,25,26,27)(H2,28,29,31)
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n/an/a 860n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232024
PNG
(CHEMBL4078321)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(OC)cc3)c(C)c2)ncn1
Show InChI InChI=1S/C20H21N5O3/c1-13-10-16(28-19-11-18(21-2)22-12-23-19)8-9-17(13)25-20(26)24-14-4-6-15(27-3)7-5-14/h4-12H,1-3H3,(H,21,22,23)(H2,24,25,26)
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n/an/a 1.28E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232029
PNG
(CHEMBL4105004)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)c(C)c2)ncn1
Show InChI InChI=1S/C20H18F3N5O2/c1-12-9-15(30-18-10-17(24-2)25-11-26-18)7-8-16(12)28-19(29)27-14-5-3-13(4-6-14)20(21,22)23/h3-11H,1-2H3,(H,24,25,26)(H2,27,28,29)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232032
PNG
(CHEMBL4103211)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2F)ncn1
Show InChI InChI=1S/C19H21FN6O3/c1-19(2,3)14-8-16(26-29-14)25-18(27)24-11-5-6-13(12(20)7-11)28-17-9-15(21-4)22-10-23-17/h5-10H,1-4H3,(H,21,22,23)(H2,24,25,26,27)
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n/an/a 1.62E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232038
PNG
(CHEMBL4081489)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2F)ncn1
Show InChI InChI=1S/C19H18FN5O3/c1-21-17-10-18(23-11-22-17)28-16-8-5-13(9-15(16)20)25-19(26)24-12-3-6-14(27-2)7-4-12/h3-11H,1-2H3,(H,21,22,23)(H2,24,25,26)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232013
PNG
(CHEMBL4075023)
Show SMILES CNc1cc(Oc2ccc(NC(=S)Nc3cccc(c3)C(F)(F)F)c(C)c2)ncn1
Show InChI InChI=1S/C20H18F3N5OS/c1-12-8-15(29-18-10-17(24-2)25-11-26-18)6-7-16(12)28-19(30)27-14-5-3-4-13(9-14)20(21,22)23/h3-11H,1-2H3,(H,24,25,26)(H2,27,28,30)
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n/an/a 1.84E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232040
PNG
(CHEMBL4087757)
Show SMILES CNc1cc(Oc2ccc(NC(=S)Nc3cccc(c3)C(F)(F)F)cc2F)ncn1
Show InChI InChI=1S/C19H15F4N5OS/c1-24-16-9-17(26-10-25-16)29-15-6-5-13(8-14(15)20)28-18(30)27-12-4-2-3-11(7-12)19(21,22)23/h2-10H,1H3,(H,24,25,26)(H2,27,28,30)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232027
PNG
(CHEMBL4070112)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(C)cc3)cc2F)ncn1
Show InChI InChI=1S/C19H18FN5O2/c1-12-3-5-13(6-4-12)24-19(26)25-14-7-8-16(15(20)9-14)27-18-10-17(21-2)22-11-23-18/h3-11H,1-2H3,(H,21,22,23)(H2,24,25,26)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232023
PNG
(CHEMBL4079875)
Show SMILES CNc1cc(Oc2ccc(NC(=S)Nc3ccc(Br)cc3)c(C)c2)ncn1
Show InChI InChI=1S/C19H18BrN5OS/c1-12-9-15(26-18-10-17(21-2)22-11-23-18)7-8-16(12)25-19(27)24-14-5-3-13(20)4-6-14/h3-11H,1-2H3,(H,21,22,23)(H2,24,25,27)
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n/an/a 3.05E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232018
PNG
(CHEMBL4088654)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(C)c2)ncn1
Show InChI InChI=1S/C20H17ClF3N5O2/c1-11-7-13(31-18-9-17(25-2)26-10-27-18)4-6-16(11)29-19(30)28-12-3-5-15(21)14(8-12)20(22,23)24/h3-10H,1-2H3,(H,25,26,27)(H2,28,29,30)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232025
PNG
(CHEMBL4097299)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2F)ncn1
Show InChI InChI=1S/C19H14ClF4N5O2/c1-25-16-8-17(27-9-26-16)31-15-5-3-11(7-14(15)21)29-18(30)28-10-2-4-13(20)12(6-10)19(22,23)24/h2-9H,1H3,(H,25,26,27)(H2,28,29,30)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232039
PNG
(CHEMBL4066096)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2F)ncn1
Show InChI InChI=1S/C19H15F4N5O2/c1-24-16-9-17(26-10-25-16)30-15-6-5-13(8-14(15)20)28-18(29)27-12-4-2-3-11(7-12)19(21,22)23/h2-10H,1H3,(H,24,25,26)(H2,27,28,29)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232037
PNG
(CHEMBL4104119)
Show SMILES CNc1cc(Oc2ccc(NC(=S)Nc3ccccc3)c(C)c2)ncn1
Show InChI InChI=1S/C19H19N5OS/c1-13-10-15(25-18-11-17(20-2)21-12-22-18)8-9-16(13)24-19(26)23-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,20,21,22)(H2,23,24,26)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232017
PNG
(CHEMBL4085284)
Show SMILES CNc1cc(Oc2ccc(NC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)c(C)c2)ncn1
Show InChI InChI=1S/C20H17ClF3N5OS/c1-11-7-13(30-18-9-17(25-2)26-10-27-18)4-6-16(11)29-19(31)28-12-3-5-15(21)14(8-12)20(22,23)24/h3-10H,1-2H3,(H,25,26,27)(H2,28,29,31)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232021
PNG
(CHEMBL4062521)
Show SMILES CNc1cc(Oc2ccc(NC(=S)Nc3ccccc3)cc2F)ncn1
Show InChI InChI=1S/C18H16FN5OS/c1-20-16-10-17(22-11-21-16)25-15-8-7-13(9-14(15)19)24-18(26)23-12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21,22)(H2,23,24,26)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232028
PNG
(CHEMBL4065359)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3cc(ncn3)N3CCOCC3)c(F)c2)no1
Show InChI InChI=1S/C22H25FN6O4/c1-22(2,3)17-11-18(28-33-17)27-21(30)26-14-4-5-16(15(23)10-14)32-20-12-19(24-13-25-20)29-6-8-31-9-7-29/h4-5,10-13H,6-9H2,1-3H3,(H2,26,27,28,30)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232031
PNG
(CHEMBL4093023)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3cc(ncn3)N3CCCCC3)c(F)c2)no1
Show InChI InChI=1S/C23H27FN6O3/c1-23(2,3)18-12-19(29-33-18)28-22(31)27-15-7-8-17(16(24)11-15)32-21-13-20(25-14-26-21)30-9-5-4-6-10-30/h7-8,11-14H,4-6,9-10H2,1-3H3,(H2,27,28,29,31)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232022
PNG
(CHEMBL4066428)
Show SMILES CNc1cc(Oc2ccc(NC(=S)Nc3ccccc3)cc2C)ncn1
Show InChI InChI=1S/C19H19N5OS/c1-13-10-15(24-19(26)23-14-6-4-3-5-7-14)8-9-16(13)25-18-11-17(20-2)21-12-22-18/h3-12H,1-2H3,(H,20,21,22)(H2,23,24,26)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232015
PNG
(CHEMBL4059521)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2F)ncn1
Show InChI InChI=1S/C18H15BrFN5O2/c1-21-16-9-17(23-10-22-16)27-15-7-6-13(8-14(15)20)25-18(26)24-12-4-2-11(19)3-5-12/h2-10H,1H3,(H,21,22,23)(H2,24,25,26)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50231967
PNG
(CHEMBL4095456)
Show SMILES CNc1cc(Oc2ccc(NC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2F)ncn1
Show InChI InChI=1S/C19H14ClF4N5OS/c1-25-16-8-17(27-9-26-16)30-15-5-3-11(7-14(15)21)29-18(31)28-10-2-4-13(20)12(6-10)19(22,23)24/h2-9H,1H3,(H,25,26,27)(H2,28,29,31)
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n/an/a 8.30E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232019
PNG
(CHEMBL4088518)
Show SMILES Cc1cc(Oc2cc(ncn2)N2CCOCC2)ccc1NC(=O)Nc1cc(on1)C(C)(C)C
Show InChI InChI=1S/C23H28N6O4/c1-15-11-16(32-21-13-20(24-14-25-21)29-7-9-31-10-8-29)5-6-17(15)26-22(30)27-19-12-18(33-28-19)23(2,3)4/h5-6,11-14H,7-10H2,1-4H3,(H2,26,27,28,30)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232014
PNG
(CHEMBL4104001)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3nccs3)c(C)c2)ncn1
Show InChI InChI=1S/C16H16N6O2S/c1-10-7-11(24-14-8-13(17-2)19-9-20-14)3-4-12(10)21-15(23)22-16-18-5-6-25-16/h3-9H,1-2H3,(H,17,19,20)(H2,18,21,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232016
PNG
(CHEMBL4098693)
Show SMILES Cc1cc(NC(=O)Nc2cc(on2)C(C)(C)C)ccc1Oc1cc(ncn1)N1CCCCC1
Show InChI InChI=1S/C24H30N6O3/c1-16-12-17(27-23(31)28-20-13-19(33-29-20)24(2,3)4)8-9-18(16)32-22-14-21(25-15-26-22)30-10-6-5-7-11-30/h8-9,12-15H,5-7,10-11H2,1-4H3,(H2,27,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232030
PNG
(CHEMBL4068972)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3nc4ccccc4s3)c(C)c2)ncn1
Show InChI InChI=1S/C20H18N6O2S/c1-12-9-13(28-18-10-17(21-2)22-11-23-18)7-8-14(12)24-19(27)26-20-25-15-5-3-4-6-16(15)29-20/h3-11H,1-2H3,(H,21,22,23)(H2,24,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232041
PNG
(CHEMBL4067407)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)c(C)c2)ncn1
Show InChI InChI=1S/C19H17Cl2N5O2/c1-11-7-13(28-18-9-17(22-2)23-10-24-18)4-6-15(11)25-19(27)26-16-5-3-12(20)8-14(16)21/h3-10H,1-2H3,(H,22,23,24)(H2,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232024
PNG
(CHEMBL4078321)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(OC)cc3)c(C)c2)ncn1
Show InChI InChI=1S/C20H21N5O3/c1-13-10-16(28-19-11-18(21-2)22-12-23-19)8-9-17(13)25-20(26)24-14-4-6-15(27-3)7-5-14/h4-12H,1-3H3,(H,21,22,23)(H2,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232041
PNG
(CHEMBL4067407)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)c(C)c2)ncn1
Show InChI InChI=1S/C19H17Cl2N5O2/c1-11-7-13(28-18-9-17(22-2)23-10-24-18)4-6-15(11)25-19(27)26-16-5-3-12(20)8-14(16)21/h3-10H,1-2H3,(H,22,23,24)(H2,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232040
PNG
(CHEMBL4087757)
Show SMILES CNc1cc(Oc2ccc(NC(=S)Nc3cccc(c3)C(F)(F)F)cc2F)ncn1
Show InChI InChI=1S/C19H15F4N5OS/c1-24-16-9-17(26-10-25-16)29-15-6-5-13(8-14(15)20)28-18(30)27-12-4-2-3-11(7-12)19(21,22)23/h2-10H,1H3,(H,24,25,26)(H2,27,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232021
PNG
(CHEMBL4062521)
Show SMILES CNc1cc(Oc2ccc(NC(=S)Nc3ccccc3)cc2F)ncn1
Show InChI InChI=1S/C18H16FN5OS/c1-20-16-10-17(22-11-21-16)25-15-8-7-13(9-14(15)19)24-18(26)23-12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21,22)(H2,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232020
PNG
(CHEMBL4080651)
Show SMILES Cc1cc(NC(=O)Nc2cc(on2)C(C)(C)C)ccc1Oc1cc(ncn1)N1CCOCC1
Show InChI InChI=1S/C23H28N6O4/c1-15-11-16(26-22(30)27-19-12-18(33-28-19)23(2,3)4)5-6-17(15)32-21-13-20(24-14-25-21)29-7-9-31-10-8-29/h5-6,11-14H,7-10H2,1-4H3,(H2,26,27,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232038
PNG
(CHEMBL4081489)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2F)ncn1
Show InChI InChI=1S/C19H18FN5O3/c1-21-17-10-18(23-11-22-17)28-16-8-5-13(9-15(16)20)25-19(26)24-12-3-6-14(27-2)7-4-12/h3-11H,1-2H3,(H,21,22,23)(H2,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232026
PNG
(CHEMBL4096368)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3)c(C)c2)ncn1
Show InChI InChI=1S/C19H18ClN5O2/c1-12-9-15(27-18-10-17(21-2)22-11-23-18)7-8-16(12)25-19(26)24-14-5-3-13(20)4-6-14/h3-11H,1-2H3,(H,21,22,23)(H2,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232022
PNG
(CHEMBL4066428)
Show SMILES CNc1cc(Oc2ccc(NC(=S)Nc3ccccc3)cc2C)ncn1
Show InChI InChI=1S/C19H19N5OS/c1-13-10-15(24-19(26)23-14-6-4-3-5-7-14)8-9-16(13)25-18-11-17(20-2)21-12-22-18/h3-12H,1-2H3,(H,20,21,22)(H2,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232030
PNG
(CHEMBL4068972)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3nc4ccccc4s3)c(C)c2)ncn1
Show InChI InChI=1S/C20H18N6O2S/c1-12-9-13(28-18-10-17(21-2)22-11-23-18)7-8-14(12)24-19(27)26-20-25-15-5-3-4-6-16(15)29-20/h3-11H,1-2H3,(H,21,22,23)(H2,24,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232013
PNG
(CHEMBL4075023)
Show SMILES CNc1cc(Oc2ccc(NC(=S)Nc3cccc(c3)C(F)(F)F)c(C)c2)ncn1
Show InChI InChI=1S/C20H18F3N5OS/c1-12-8-15(29-18-10-17(24-2)25-11-26-18)6-7-16(12)28-19(30)27-14-5-3-4-13(9-14)20(21,22)23/h3-11H,1-2H3,(H,24,25,26)(H2,27,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232043
PNG
(CHEMBL4079740)
Show SMILES CNc1cc(Oc2ccc(NC(=O)NC3CC3)c(C)c2)ncn1
Show InChI InChI=1S/C16H19N5O2/c1-10-7-12(23-15-8-14(17-2)18-9-19-15)5-6-13(10)21-16(22)20-11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,17,18,19)(H2,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232023
PNG
(CHEMBL4079875)
Show SMILES CNc1cc(Oc2ccc(NC(=S)Nc3ccc(Br)cc3)c(C)c2)ncn1
Show InChI InChI=1S/C19H18BrN5OS/c1-12-9-15(26-18-10-17(21-2)22-11-23-18)7-8-16(12)25-19(27)24-14-5-3-13(20)4-6-14/h3-11H,1-2H3,(H,21,22,23)(H2,24,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232014
PNG
(CHEMBL4104001)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3nccs3)c(C)c2)ncn1
Show InChI InChI=1S/C16H16N6O2S/c1-10-7-11(24-14-8-13(17-2)19-9-20-14)3-4-12(10)21-15(23)22-16-18-5-6-25-16/h3-9H,1-2H3,(H,17,19,20)(H2,18,21,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232029
PNG
(CHEMBL4105004)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)c(C)c2)ncn1
Show InChI InChI=1S/C20H18F3N5O2/c1-12-9-15(30-18-10-17(24-2)25-11-26-18)7-8-16(12)28-19(29)27-14-5-3-13(4-6-14)20(21,22)23/h3-11H,1-2H3,(H,24,25,26)(H2,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232043
PNG
(CHEMBL4079740)
Show SMILES CNc1cc(Oc2ccc(NC(=O)NC3CC3)c(C)c2)ncn1
Show InChI InChI=1S/C16H19N5O2/c1-10-7-12(23-15-8-14(17-2)18-9-19-15)5-6-13(10)21-16(22)20-11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,17,18,19)(H2,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232036
PNG
(CHEMBL4084225)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3cccc(Br)c3)c(C)c2)ncn1
Show InChI InChI=1S/C19H18BrN5O2/c1-12-8-15(27-18-10-17(21-2)22-11-23-18)6-7-16(12)25-19(26)24-14-5-3-4-13(20)9-14/h3-11H,1-2H3,(H,21,22,23)(H2,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232033
PNG
(CHEMBL4080779)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2F)ncn1
Show InChI InChI=1S/C18H14Cl2FN5O2/c1-22-16-8-17(24-9-23-16)28-15-5-3-11(7-13(15)21)25-18(27)26-14-4-2-10(19)6-12(14)20/h2-9H,1H3,(H,22,23,24)(H2,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]A...


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232027
PNG
(CHEMBL4070112)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(C)cc3)cc2F)ncn1
Show InChI InChI=1S/C19H18FN5O2/c1-12-3-5-13(6-4-12)24-19(26)25-14-7-8-16(15(20)9-14)27-18-10-17(21-2)22-11-23-18/h3-11H,1-2H3,(H,21,22,23)(H2,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232033
PNG
(CHEMBL4080779)
Show SMILES CNc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2F)ncn1
Show InChI InChI=1S/C18H14Cl2FN5O2/c1-22-16-8-17(24-9-23-16)28-15-5-3-11(7-13(15)21)25-18(27)26-14-4-2-10(19)6-12(14)20/h2-9H,1H3,(H,22,23,24)(H2,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50232037
PNG
(CHEMBL4104119)
Show SMILES CNc1cc(Oc2ccc(NC(=S)Nc3ccccc3)c(C)c2)ncn1
Show InChI InChI=1S/C19H19N5OS/c1-13-10-15(25-18-11-17(20-2)21-12-22-18)8-9-16(13)24-19(26)23-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,20,21,22)(H2,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay


Eur J Med Chem 127: 997-1011 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.009
BindingDB Entry DOI: 10.7270/Q2JH3PDJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%