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BDBM313389 N-(3-(2-(3- (fluoromethyl)oxetan-3- yl)-6-(2- hydroxyethoxy)pyridin- 4-yl)-4-methylphenyl)- 2- (trifluoromethyl)isonicotin- amide::US10167279, Example 57

SMILES: Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)C1(CF)COC1

InChI Key: InChIKey=UNSUFJMKRLXMBT-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 = 313389   
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))
BDBM313389
PNG
(N-(3-(2-(3- (fluoromethyl)oxetan-3- yl)-6-(2- hydr...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)C1(CF)COC1
Show InChI InChI=1S/C25H23F4N3O4/c1-15-2-3-18(31-23(34)16-4-5-30-21(8-16)25(27,28)29)11-19(15)17-9-20(24(12-26)13-35-14-24)32-22(10-17)36-7-6-33/h2-5,8-11,33H,6-7,12-14H2,1H3,(H,31,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 149n/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