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BDBM117591 US8653087, III-271

SMILES: CN(C)c1cccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(nc34)N3CCCC3)c2)c1

InChI Key: InChIKey=HSRFEAMKXBPCDH-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 117591   
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
B-RAF V600E


(Homo sapiens (Human))
BDBM117591
PNG
(US8653087, III-271)
Show SMILES CN(C)c1cccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(nc34)N3CCCC3)c2)c1
Show InChI InChI=1S/C26H28N8O/c1-17-9-10-18(25(35)30-19-7-6-8-20(14-19)33(2)3)13-21(17)31-24-23-22(28-16-29-24)15-27-26(32-23)34-11-4-5-12-34/h6-10,13-16H,4-5,11-12H2,1-3H3,(H,30,35)(H,28,29,31)
PDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 10n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...


US Patent US8653087 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S1G
More data for this
Ligand-Target Pair