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BDBM313488 3-(2-aminopropan-2-yl)- N-(3-(5-(3-fluorooxetan- 3-yl)-6-methoxypyridin- 3-yl)-4-methylphenyl)- 5- (trifluoromethyl)benzamide::US10167279, Example 107

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

InChI Key: InChIKey=ASLQDTFKZBAPRS-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 = 313488   
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))
BDBM313488
PNG
(3-(2-aminopropan-2-yl)- N-(3-(5-(3-fluorooxetan- 3...)
Show SMILES COc1ncc(cc1C1(F)COC1)-c1cc(NC(=O)c2cc(cc(c2)C(F)(F)F)C(C)(C)N)ccc1C
Show InChI InChI=1S/C27H27F4N3O3/c1-15-5-6-20(11-21(15)17-9-22(24(36-4)33-12-17)26(28)13-37-14-26)34-23(35)16-7-18(25(2,3)32)10-19(8-16)27(29,30)31/h5-12H,13-14,32H2,1-4H3,(H,34,35)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.96E+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))
BDBM313488
PNG
(3-(2-aminopropan-2-yl)- N-(3-(5-(3-fluorooxetan- 3...)
Show SMILES COc1ncc(cc1C1(F)COC1)-c1cc(NC(=O)c2cc(cc(c2)C(F)(F)F)C(C)(C)N)ccc1C
Show InChI InChI=1S/C27H27F4N3O3/c1-15-5-6-20(11-21(15)17-9-22(24(36-4)33-12-17)26(28)13-37-14-26)34-23(35)16-7-18(25(2,3)32)10-19(8-16)27(29,30)31/h5-12H,13-14,32H2,1-4H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 725n/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