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BDBM313482 3-(2-aminopropan-2-yl)- N-(3-(5-(3- hydroxyoxetan-3-yl)-6- methoxypyridin-3-yl)-4- methylphenyl)-5- (trifluoromethyl)benzamide::US10167279, Example 101

SMILES: COc1ncc(cc1C1(O)COC1)-c1cc(NC(=O)c2cc(cc(c2)C(F)(F)F)C(C)(C)N)ccc1C

InChI Key: InChIKey=ZSGVRAZOFCAXHQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 313482   
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
B-Raf (V600E)


(Homo sapiens (Human))
BDBM313482
PNG
(3-(2-aminopropan-2-yl)- N-(3-(5-(3- hydroxyoxetan-...)
Show SMILES COc1ncc(cc1C1(O)COC1)-c1cc(NC(=O)c2cc(cc(c2)C(F)(F)F)C(C)(C)N)ccc1C
Show InChI InChI=1S/C27H28F3N3O4/c1-15-5-6-20(11-21(15)17-9-22(24(36-4)32-12-17)26(35)13-37-14-26)33-23(34)16-7-18(25(2,3)31)10-19(8-16)27(28,29)30/h5-12,35H,13-14,31H2,1-4H3,(H,33,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.39E+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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM313482
PNG
(3-(2-aminopropan-2-yl)- N-(3-(5-(3- hydroxyoxetan-...)
Show SMILES COc1ncc(cc1C1(O)COC1)-c1cc(NC(=O)c2cc(cc(c2)C(F)(F)F)C(C)(C)N)ccc1C
Show InChI InChI=1S/C27H28F3N3O4/c1-15-5-6-20(11-21(15)17-9-22(24(36-4)32-12-17)26(35)13-37-14-26)33-23(34)16-7-18(25(2,3)31)10-19(8-16)27(28,29)30/h5-12,35H,13-14,31H2,1-4H3,(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 1.45E+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