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1 similar compounds to monomer 80822

Compile data set for download or QSAR
Wt: 494.5
BDBM81251

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 81251   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-RAF


(Homo sapiens (Human))
BDBM81251
PNG
(US9694016, 527)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cc(N2C3CCC2COC3)n(C)c(=O)c1
Show InChI InChI=1S/C27H28F2N4O3/c1-16-4-5-19(31-26(35)17-8-9-30-23(10-17)27(2,28)29)13-22(16)18-11-24(32(3)25(34)12-18)33-20-6-7-21(33)15-36-14-20/h4-5,8-13,20-21H,6-7,14-15H2,1-3H3,(H,31,35)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/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))
BDBM81251
PNG
(US9694016, 527)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cc(N2C3CCC2COC3)n(C)c(=O)c1
Show InChI InChI=1S/C27H28F2N4O3/c1-16-4-5-19(31-26(35)17-8-9-30-23(10-17)27(2,28)29)13-22(16)18-11-24(32(3)25(34)12-18)33-20-6-7-21(33)15-36-14-20/h4-5,8-13,20-21H,6-7,14-15H2,1-3H3,(H,31,35)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.60n/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