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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'RAF proto-oncogene serine/threonine-protein kinase' and Ligand = 'BDBM202830'   
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))
BDBM202830
PNG
(US10245267, Example 177 | US10709712, Example 177 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
Show InChI InChI=1S/C26H27F2N3O3/c1-17-7-8-21(29-24(32)18-5-4-6-20(13-18)26(2,27)28)15-22(17)19-14-23(25(33)30(3)16-19)31-9-11-34-12-10-31/h4-8,13-16H,9-12H2,1-3H3,(H,29,32)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM202830
PNG
(US10245267, Example 177 | US10709712, Example 177 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
Show InChI InChI=1S/C26H27F2N3O3/c1-17-7-8-21(29-24(32)18-5-4-6-20(13-18)26(2,27)28)15-22(17)19-14-23(25(33)30(3)16-19)31-9-11-34-12-10-31/h4-8,13-16H,9-12H2,1-3H3,(H,29,32)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...


US Patent US10709712 (2020)


BindingDB Entry DOI: 10.7270/Q2280BP3
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM202830
PNG
(US10245267, Example 177 | US10709712, Example 177 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
Show InChI InChI=1S/C26H27F2N3O3/c1-17-7-8-21(29-24(32)18-5-4-6-20(13-18)26(2,27)28)15-22(17)19-14-23(25(33)30(3)16-19)31-9-11-34-12-10-31/h4-8,13-16H,9-12H2,1-3H3,(H,29,32)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.122n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...


US Patent US10709712 (2020)


BindingDB Entry DOI: 10.7270/Q2280BP3
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM202830
PNG
(US10245267, Example 177 | US10709712, Example 177 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
Show InChI InChI=1S/C26H27F2N3O3/c1-17-7-8-21(29-24(32)18-5-4-6-20(13-18)26(2,27)28)15-22(17)19-14-23(25(33)30(3)16-19)31-9-11-34-12-10-31/h4-8,13-16H,9-12H2,1-3H3,(H,29,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.122n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair