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PubMed code 28088086

Compile data set for download or QSAR
Found 5 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))
BDBM50232421
PNG
(CHEMBL4100501)
Show SMILES COc1cc2cc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c(C)nc2cc1OC
Show InChI InChI=1S/C26H21ClF3N3O4/c1-14-22(10-15-11-23(35-2)24(36-3)13-21(15)31-14)37-18-7-4-16(5-8-18)32-25(34)33-17-6-9-20(27)19(12-17)26(28,29)30/h4-13H,1-3H3,(H2,32,33,34)
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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human c-RAF using MEK1 as substrate in presence of [33P]ATP by Hotspot assay


Eur J Med Chem 127: 413-423 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.006
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232423
PNG
(CHEMBL4065090)
Show SMILES COc1cc2cc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c(C)nc2cc1OC
Show InChI InChI=1S/C26H22F3N3O4/c1-15-22(11-16-12-23(34-2)24(35-3)14-21(16)30-15)36-20-9-7-18(8-10-20)31-25(33)32-19-6-4-5-17(13-19)26(27,28)29/h4-14H,1-3H3,(H2,31,32,33)
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Article
PubMed
n/an/a 150n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human c-RAF using MEK1 as substrate in presence of [33P]ATP by Hotspot assay


Eur J Med Chem 127: 413-423 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.006
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232422
PNG
(CHEMBL4073684)
Show SMILES COc1cc2cc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)c(C)nc2cc1OC
Show InChI InChI=1S/C25H21Cl2N3O4/c1-14-22(10-15-11-23(32-2)24(33-3)13-21(15)28-14)34-18-7-4-16(5-8-18)29-25(31)30-17-6-9-19(26)20(27)12-17/h4-13H,1-3H3,(H2,29,30,31)
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Article
PubMed
n/an/a 220n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human c-RAF using MEK1 as substrate in presence of [33P]ATP by Hotspot assay


Eur J Med Chem 127: 413-423 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.006
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50232424
PNG
(CHEMBL4097123)
Show SMILES COc1cc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c(C)nc2cc1OC
Show InChI InChI=1S/C27H21F6N3O4/c1-14-22(8-15-9-23(38-2)24(39-3)13-21(15)34-14)40-20-6-4-18(5-7-20)35-25(37)36-19-11-16(26(28,29)30)10-17(12-19)27(31,32)33/h4-13H,1-3H3,(H2,35,36,37)
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Article
PubMed
n/an/a 370n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human c-RAF using MEK1 as substrate in presence of [33P]ATP by Hotspot assay


Eur J Med Chem 127: 413-423 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.006
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50232421
PNG
(CHEMBL4100501)
Show SMILES COc1cc2cc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c(C)nc2cc1OC
Show InChI InChI=1S/C26H21ClF3N3O4/c1-14-22(10-15-11-23(35-2)24(36-3)13-21(15)31-14)37-18-7-4-16(5-8-18)32-25(34)33-17-6-9-20(27)19(12-17)26(28,29)30/h4-13H,1-3H3,(H2,32,33,34)
PDB
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Article
PubMed
n/an/a 1.33E+3n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human BRAF using MEK1 as substrate in presence of [33P]ATP by Hotspot assay


Eur J Med Chem 127: 413-423 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.006
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%