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BDBM313548 N-(3-(2-((2- hydroxyethyl)amino)-6- (tetrahydro-2H-pyran-4- yl)pyridin-4-yl)-4- methylphenyl)-2- (trifluoromethyl) isonicotinamide::US10167279, Example 172

SMILES: Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(NCCO)nc(c1)C1CCOCC1

InChI Key: InChIKey=CUHGCVUHMAWPCM-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 = 313548   
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))
BDBM313548
PNG
(N-(3-(2-((2- hydroxyethyl)amino)-6- (tetrahydro-2H...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(NCCO)nc(c1)C1CCOCC1
Show InChI InChI=1S/C26H27F3N4O3/c1-16-2-3-20(32-25(35)18-4-7-30-23(13-18)26(27,28)29)15-21(16)19-12-22(17-5-10-36-11-6-17)33-24(14-19)31-8-9-34/h2-4,7,12-15,17,34H,5-6,8-11H2,1H3,(H,31,33)(H,32,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.99E+3n/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