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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 = 'BDBM202695'   
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))
BDBM202695
PNG
(US10245267, Example 40 | US10709712, Example 40 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(OCCO)n1)N1CCOCC1
Show InChI InChI=1S/C25H25F3N4O4/c1-16-5-6-19(29-23(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22(32-7-10-35-11-8-32)31-24(30-21)36-12-9-33/h2-6,13-15,33H,7-12H2,1H3,(H,29,34)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.132n/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))
BDBM202695
PNG
(US10245267, Example 40 | US10709712, Example 40 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(OCCO)n1)N1CCOCC1
Show InChI InChI=1S/C25H25F3N4O4/c1-16-5-6-19(29-23(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22(32-7-10-35-11-8-32)31-24(30-21)36-12-9-33/h2-6,13-15,33H,7-12H2,1H3,(H,29,34)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.132n/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))
BDBM202695
PNG
(US10245267, Example 40 | US10709712, Example 40 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(OCCO)n1)N1CCOCC1
Show InChI InChI=1S/C25H25F3N4O4/c1-16-5-6-19(29-23(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22(32-7-10-35-11-8-32)31-24(30-21)36-12-9-33/h2-6,13-15,33H,7-12H2,1H3,(H,29,34)
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 0.200n/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))
BDBM202695
PNG
(US10245267, Example 40 | US10709712, Example 40 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(OCCO)n1)N1CCOCC1
Show InChI InChI=1S/C25H25F3N4O4/c1-16-5-6-19(29-23(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22(32-7-10-35-11-8-32)31-24(30-21)36-12-9-33/h2-6,13-15,33H,7-12H2,1H3,(H,29,34)
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 0.200n/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