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BDBM313568 N-(3-(2- (hydroxymethyl)- 2-methyl-3-oxo-5- (tetrahydro-2H-pyran-4- yl)-3,4-dihydro-2H-benzo [b][1,4]oxazin-7-yl)-4- methylphenyl)-4- (trifluoromethyl) picolinamide::US10167279, Example 192::US10167279, Example 193::US10167279, Example 194

SMILES: Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cc2OC(C)(CO)C(=O)Nc2c(c1)C1CCOCC1

InChI Key: InChIKey=CVCWPOXZQKWUDE-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 313568   
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))
BDBM313568
PNG
(N-(3-(2- (hydroxymethyl)- 2-methyl-3-oxo-5- (tetra...)
Show SMILES Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cc2OC(C)(CO)C(=O)Nc2c(c1)C1CCOCC1
Show InChI InChI=1S/C29H28F3N3O5/c1-16-3-4-20(34-26(37)23-13-19(5-8-33-23)29(30,31)32)14-21(16)18-11-22(17-6-9-39-10-7-17)25-24(12-18)40-28(2,15-36)27(38)35-25/h3-5,8,11-14,17,36H,6-7,9-10,15H2,1-2H3,(H,34,37)(H,35,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/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))
BDBM313568
PNG
(N-(3-(2- (hydroxymethyl)- 2-methyl-3-oxo-5- (tetra...)
Show SMILES Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cc2OC(C)(CO)C(=O)Nc2c(c1)C1CCOCC1
Show InChI InChI=1S/C29H28F3N3O5/c1-16-3-4-20(34-26(37)23-13-19(5-8-33-23)29(30,31)32)14-21(16)18-11-22(17-6-9-39-10-7-17)25-24(12-18)40-28(2,15-36)27(38)35-25/h3-5,8,11-14,17,36H,6-7,9-10,15H2,1-2H3,(H,34,37)(H,35,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/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))
BDBM313568
PNG
(N-(3-(2- (hydroxymethyl)- 2-methyl-3-oxo-5- (tetra...)
Show SMILES Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cc2OC(C)(CO)C(=O)Nc2c(c1)C1CCOCC1
Show InChI InChI=1S/C29H28F3N3O5/c1-16-3-4-20(34-26(37)23-13-19(5-8-33-23)29(30,31)32)14-21(16)18-11-22(17-6-9-39-10-7-17)25-24(12-18)40-28(2,15-36)27(38)35-25/h3-5,8,11-14,17,36H,6-7,9-10,15H2,1-2H3,(H,34,37)(H,35,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/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