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BDBM212394 US9290507, II-7

SMILES: CN1CCN(CC1)c1cncc(c1)-c1cn(nn1)-c1cc(NC(=O)c2cc(ccn2)C(F)(F)F)ccc1C

InChI Key: InChIKey=SHUCVICRDSHPBN-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 212394   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM212394
PNG
(US9290507, II-7)
Show SMILES CN1CCN(CC1)c1cncc(c1)-c1cn(nn1)-c1cc(NC(=O)c2cc(ccn2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H25F3N8O/c1-17-3-4-20(32-25(38)22-12-19(5-6-31-22)26(27,28)29)13-24(17)37-16-23(33-34-37)18-11-21(15-30-14-18)36-9-7-35(2)8-10-36/h3-6,11-16H,7-10H2,1-2H3,(H,32,38)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In a dilution series 10 uL/well of test substance solution are placed in a multiwell plate. The dilution series is selected so that generally a range...


US Patent US9290507 (2016)


BindingDB Entry DOI: 10.7270/Q2PK0F1H
More data for this
Ligand-Target Pair