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BDBM313533 N-(3-(2-((2- hydroxyethyl)amino)-6- (3-methoxyoxetan-3- yl)pyridin-4-yl)-4- methylphenyl)-4- (trifluoromethyl)picolin- amide::US10167279, Example 154

SMILES: COC1(COC1)c1cc(cc(NCCO)n1)-c1cc(NC(=O)c2cc(ccn2)C(F)(F)F)ccc1C

InChI Key: InChIKey=GEKOHQGSTMYGTB-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 = 313533   
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))
BDBM313533
PNG
(N-(3-(2-((2- hydroxyethyl)amino)-6- (3-methoxyoxet...)
Show SMILES COC1(COC1)c1cc(cc(NCCO)n1)-c1cc(NC(=O)c2cc(ccn2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C25H25F3N4O4/c1-15-3-4-18(31-23(34)20-11-17(5-6-29-20)25(26,27)28)12-19(15)16-9-21(24(35-2)13-36-14-24)32-22(10-16)30-7-8-33/h3-6,9-12,33H,7-8,13-14H2,1-2H3,(H,30,32)(H,31,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/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