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BDBM372635 US10245267, Example 327

SMILES: Cc1ncc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc(CS(C)(=O)=O)c(c1)N1CCOCC1

InChI Key: InChIKey=FVRMZGPENNVJLO-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 = 372635   
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))
BDBM372635
PNG
(US10245267, Example 327)
Show SMILES Cc1ncc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc(CS(C)(=O)=O)c(c1)N1CCOCC1
Show InChI InChI=1S/C24H24F3N5O4S/c1-15-19(11-18(13-29-15)31-23(33)16-3-4-28-22(10-16)24(25,26)27)17-9-21(32-5-7-36-8-6-32)20(30-12-17)14-37(2,34)35/h3-4,9-13H,5-8,14H2,1-2H3,(H,31,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US10245267 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM372635
PNG
(US10245267, Example 327)
Show SMILES Cc1ncc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc(CS(C)(=O)=O)c(c1)N1CCOCC1
Show InChI InChI=1S/C24H24F3N5O4S/c1-15-19(11-18(13-29-15)31-23(33)16-3-4-28-22(10-16)24(25,26)27)17-9-21(32-5-7-36-8-6-32)20(30-12-17)14-37(2,34)35/h3-4,9-13H,5-8,14H2,1-2H3,(H,31,33)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US10245267 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair