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BDBM313518 2-(2-cyanopropan-2-yl)- N-(3'-(3-fluorooxetan-3- yl)-5'-(3-hydroxyoxetan- 3-yl)-6-methyl-[1,1'- biphenyl]-3- yl)isonicotinamide::US10167279, Example 138

SMILES: Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(cc(c1)C1(F)COC1)C1(O)COC1

InChI Key: InChIKey=XUTPNQCCUPMLOT-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 = 313518   
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))
BDBM313518
PNG
(2-(2-cyanopropan-2-yl)- N-(3'-(3-fluorooxetan-3- y...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(cc(c1)C1(F)COC1)C1(O)COC1
Show InChI InChI=1S/C29H28FN3O4/c1-18-4-5-23(33-26(34)19-6-7-32-25(10-19)27(2,3)13-31)12-24(18)20-8-21(28(30)14-36-15-28)11-22(9-20)29(35)16-37-17-29/h4-12,35H,14-17H2,1-3H3,(H,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.19E+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