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PubMed code 23398453

Compile data set for download or QSAR
Found 4 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))
BDBM50430022
PNG
(CHEMBL2144069)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)
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MCE
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 380n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) using biotinylated MEK as substrate and MgCl2 incubated for 20 mins prior to MgCl2 addition measured af...


J Med Chem 56: 1996-2015 (2013)


Article DOI: 10.1021/jm301658d
BindingDB Entry DOI: 10.7270/Q2DF6SJS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50430022
PNG
(CHEMBL2144069)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)
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PC cid
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Article
PubMed
n/an/a 2.64E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His-tagged BRAF expressed in Sf9 cells coexpressing CDC37 using biotinylated MEK as substrate and MgCl2 in...


J Med Chem 56: 1996-2015 (2013)


Article DOI: 10.1021/jm301658d
BindingDB Entry DOI: 10.7270/Q2DF6SJS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50430021
PNG
(CHEMBL2335864)
Show SMILES COCCNC(=O)c1ccc(Nc2ncc3cc(ccc3n2)-c2ccncc2)cc1
Show InChI InChI=1S/C23H21N5O2/c1-30-13-12-25-22(29)17-2-5-20(6-3-17)27-23-26-15-19-14-18(4-7-21(19)28-23)16-8-10-24-11-9-16/h2-11,14-15H,12-13H2,1H3,(H,25,29)(H,26,27,28)
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n/an/a 5.84E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) using biotinylated MEK as substrate and MgCl2 incubated for 20 mins prior to MgCl2 addition measured af...


J Med Chem 56: 1996-2015 (2013)


Article DOI: 10.1021/jm301658d
BindingDB Entry DOI: 10.7270/Q2DF6SJS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50430021
PNG
(CHEMBL2335864)
Show SMILES COCCNC(=O)c1ccc(Nc2ncc3cc(ccc3n2)-c2ccncc2)cc1
Show InChI InChI=1S/C23H21N5O2/c1-30-13-12-25-22(29)17-2-5-20(6-3-17)27-23-26-15-19-14-18(4-7-21(19)28-23)16-8-10-24-11-9-16/h2-11,14-15H,12-13H2,1H3,(H,25,29)(H,26,27,28)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His-tagged BRAF expressed in Sf9 cells coexpressing CDC37 using biotinylated MEK as substrate and MgCl2 in...


J Med Chem 56: 1996-2015 (2013)


Article DOI: 10.1021/jm301658d
BindingDB Entry DOI: 10.7270/Q2DF6SJS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%