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BDBM104859 US8569316, III-26

SMILES: COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(nc34)N3CCC(C3)N3CCOCC3)c2)cc(cc1NS(C)(=O)=O)C(C)(C)C

InChI Key: InChIKey=XTJXCYWSPWJKOC-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 104859   
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))
BDBM104859
PNG
(US8569316, III-26)
Show SMILES COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(nc34)N3CCC(C3)N3CCOCC3)c2)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1/C35H44N8O5S/c1-22-7-8-23(34(44)39-28-18-24(35(2,3)4)19-29(32(28)47-5)41-49(6,45)46)17-27(22)38-33-31-26(36-21-37-33)9-10-30(40-31)43-12-11-25(20-43)42-13-15-48-16-14-42/h7-10,17-19,21,25,41H,11-16,20H2,1-6H3,(H,39,44)(H,36,37,38)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.46E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro kinase assay.


US Patent US8569316 (2013)


BindingDB Entry DOI: 10.7270/Q29W0D44
More data for this
Ligand-Target Pair