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BDBM313687 N-(4-methyl-3-(5-tetrahydro-2H-pyran-4-yl-6-((tetrahydro-2H-pyran-4-yl)oxy)pyridazin-3-yl)phenyl)-2-(trifluoromethyl)isonicotinamide::US10167279, Example 313

SMILES: Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(C2CCOCC2)c(OC2CCOCC2)nn1

InChI Key: InChIKey=OBJXEZQUWRAXFQ-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 = 313687   
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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM313687
PNG
(N-(4-methyl-3-(5-tetrahydro-2H-pyran-4-yl-6-((tetr...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(C2CCOCC2)c(OC2CCOCC2)nn1
Show InChI InChI=1S/C28H29F3N4O4/c1-17-2-3-20(33-26(36)19-4-9-32-25(14-19)28(29,30)31)15-22(17)24-16-23(18-5-10-37-11-6-18)27(35-34-24)39-21-7-12-38-13-8-21/h2-4,9,14-16,18,21H,5-8,10-13H2,1H3,(H,33,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/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