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PubMed code 24878193

Compile data set for download or QSAR
Found 8 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))
BDBM50085415
PNG
(3-(3,5-Dibromo-4-hydroxy-benzylidene)-5-iodo-1,3-d...)
Show SMILES Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(I)cc23)cc1Br
Show InChI InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-
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Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of cRAF1 (unknown origin) at 10 uM


Bioorg Med Chem Lett 24: 3600-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.030
BindingDB Entry DOI: 10.7270/Q2RN39HK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50085415
PNG
(3-(3,5-Dibromo-4-hydroxy-benzylidene)-5-iodo-1,3-d...)
Show SMILES Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(I)cc23)cc1Br
Show InChI InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-
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Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of BRAF V599E mutant (unknown origin)


Bioorg Med Chem Lett 24: 3600-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.030
BindingDB Entry DOI: 10.7270/Q2RN39HK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50044784
PNG
(CHEBI:79090 | SB-202190 | US10865384, Compound SB2...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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PubMed
n/an/a 8.70n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of P38a/MAPK14 (unknown origin)


Bioorg Med Chem Lett 24: 3600-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.030
BindingDB Entry DOI: 10.7270/Q2RN39HK
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50044783
PNG
(CHEMBL3309549)
Show SMILES C[C@H](O)CNc1nccc(n1)-n1ccnc1Cc1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C25H23ClF3N7O2/c1-15(37)14-32-23-31-8-7-21(35-23)36-10-9-30-22(36)12-16-3-2-4-17(11-16)33-24(38)34-18-5-6-20(26)19(13-18)25(27,28)29/h2-11,13,15,37H,12,14H2,1H3,(H,31,32,35)(H2,33,34,38)/t15-/m0/s1
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n/an/a 8.80n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of cRAF1 (unknown origin) at 10 uM


Bioorg Med Chem Lett 24: 3600-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.030
BindingDB Entry DOI: 10.7270/Q2RN39HK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50085415
PNG
(3-(3,5-Dibromo-4-hydroxy-benzylidene)-5-iodo-1,3-d...)
Show SMILES Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(I)cc23)cc1Br
Show InChI InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of BRAF (unknown origin)


Bioorg Med Chem Lett 24: 3600-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.030
BindingDB Entry DOI: 10.7270/Q2RN39HK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50044783
PNG
(CHEMBL3309549)
Show SMILES C[C@H](O)CNc1nccc(n1)-n1ccnc1Cc1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C25H23ClF3N7O2/c1-15(37)14-32-23-31-8-7-21(35-23)36-10-9-30-22(36)12-16-3-2-4-17(11-16)33-24(38)34-18-5-6-20(26)19(13-18)25(27,28)29/h2-11,13,15,37H,12,14H2,1H3,(H,31,32,35)(H2,33,34,38)/t15-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of BRAF V599E mutant (unknown origin)


Bioorg Med Chem Lett 24: 3600-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.030
BindingDB Entry DOI: 10.7270/Q2RN39HK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50044783
PNG
(CHEMBL3309549)
Show SMILES C[C@H](O)CNc1nccc(n1)-n1ccnc1Cc1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C25H23ClF3N7O2/c1-15(37)14-32-23-31-8-7-21(35-23)36-10-9-30-22(36)12-16-3-2-4-17(11-16)33-24(38)34-18-5-6-20(26)19(13-18)25(27,28)29/h2-11,13,15,37H,12,14H2,1H3,(H,31,32,35)(H2,33,34,38)/t15-/m0/s1
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n/an/a 186n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of BRAF (unknown origin)


Bioorg Med Chem Lett 24: 3600-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.030
BindingDB Entry DOI: 10.7270/Q2RN39HK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50044783
PNG
(CHEMBL3309549)
Show SMILES C[C@H](O)CNc1nccc(n1)-n1ccnc1Cc1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C25H23ClF3N7O2/c1-15(37)14-32-23-31-8-7-21(35-23)36-10-9-30-22(36)12-16-3-2-4-17(11-16)33-24(38)34-18-5-6-20(26)19(13-18)25(27,28)29/h2-11,13,15,37H,12,14H2,1H3,(H,31,32,35)(H2,33,34,38)/t15-/m0/s1
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PubMed
n/an/a 571n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of P38a/MAPK14 (unknown origin)


Bioorg Med Chem Lett 24: 3600-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.030
BindingDB Entry DOI: 10.7270/Q2RN39HK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%