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BDBM313610 N-(5-(6-ethoxy-5- (tetrahydro-2H-pyran-4- yl)pyridazin-3-yl)-6- methylpyridin-3-yl)-3- (trifluoromethyl) benzamide::US10167279, Example 234

SMILES: CCOc1nnc(cc1C1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1C

InChI Key: InChIKey=XYTVFLHAYRVGSQ-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 = 313610   
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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM313610
PNG
(N-(5-(6-ethoxy-5- (tetrahydro-2H-pyran-4- yl)pyrid...)
Show SMILES CCOc1nnc(cc1C1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1C
Show InChI InChI=1S/C25H25F3N4O3/c1-3-35-24-21(16-7-9-34-10-8-16)13-22(31-32-24)20-12-19(14-29-15(20)2)30-23(33)17-5-4-6-18(11-17)25(26,27)28/h4-6,11-14,16H,3,7-10H2,1-2H3,(H,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 m...


US Patent US10167279 (2019)


BindingDB Entry DOI: 10.7270/Q2W0981V
More data for this
Ligand-Target Pair