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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'B-RAF V600E' and Ligand = 'BDBM87753'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B-RAF V600E


(Homo sapiens (Human))
BDBM87753
PNG
(US10245267, Example 788 | US10709712, Example 788 ...)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)C(C)(C)O)N1CCOCC1
Show InChI InChI=1S/C25H26F3N5O3/c1-15-19(20-13-21(33-7-9-36-10-8-33)32-23(31-20)24(2,3)35)12-18(14-29-15)30-22(34)16-5-4-6-17(11-16)25(26,27)28/h4-6,11-14,35H,7-10H2,1-3H3,(H,30,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 200n/an/an/an/a7.525



Novartis AG

US Patent


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


US Patent US9694016 (2017)


BindingDB Entry DOI: 10.7270/Q2MC8X6W
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM87753
PNG
(US10245267, Example 788 | US10709712, Example 788 ...)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)C(C)(C)O)N1CCOCC1
Show InChI InChI=1S/C25H26F3N5O3/c1-15-19(20-13-21(33-7-9-36-10-8-33)32-23(31-20)24(2,3)35)12-18(14-29-15)30-22(34)16-5-4-6-17(11-16)25(26,27)28/h4-6,11-14,35H,7-10H2,1-3H3,(H,30,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 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)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM87753
PNG
(US10245267, Example 788 | US10709712, Example 788 ...)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)C(C)(C)O)N1CCOCC1
Show InChI InChI=1S/C25H26F3N5O3/c1-15-19(20-13-21(33-7-9-36-10-8-33)32-23(31-20)24(2,3)35)12-18(14-29-15)30-22(34)16-5-4-6-17(11-16)25(26,27)28/h4-6,11-14,35H,7-10H2,1-3H3,(H,30,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 200n/an/an/an/an/an/a



Novartis AG

US Patent


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 ...


US Patent US10245267 (2019)


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