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SMILES: CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)F)c(F)cc1C

InChI Key: InChIKey=WMVXSEQUHAGMDB-UHFFFAOYSA-N

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 4 hits for monomerid = 192504   
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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM192504
PNG
(US9187474, 76)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)F)c(F)cc1C
Show InChI InChI=1S/C23H27F2N5O/c1-13-8-18(24)20(30-22(31)27-7-6-23(3,4)25)10-16(13)17-9-15-12-28-21(26-5)11-19(15)29-14(17)2/h8-12H,6-7H2,1-5H3,(H,26,28)(H2,27,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/an/an/an/an/an/a



Deciphera Pharmaceuticals, LLC; Eli Lilly and Company

US Patent


Assay Description
Sample preparation: A375 cells from ATCC are lysed by sonication in commercially available lysis buffer, cleared by centrifugation, and the resulting...


US Patent US9187474 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6HWK
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM192504
PNG
(US9187474, 76)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)F)c(F)cc1C
Show InChI InChI=1S/C23H27F2N5O/c1-13-8-18(24)20(30-22(31)27-7-6-23(3,4)25)10-16(13)17-9-15-12-28-21(26-5)11-19(15)29-14(17)2/h8-12H,6-7H2,1-5H3,(H,26,28)(H2,27,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 170n/an/an/an/an/an/a



Deciphera Pharmaceuticals, LLC; Eli Lilly and Company

US Patent


Assay Description
Sample preparation: A375 cells from ATCC are lysed by sonication in commercially available lysis buffer, cleared by centrifugation, and the resulting...


US Patent US9187474 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6HWK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM192504
PNG
(US9187474, 76)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)F)c(F)cc1C
Show InChI InChI=1S/C23H27F2N5O/c1-13-8-18(24)20(30-22(31)27-7-6-23(3,4)25)10-16(13)17-9-15-12-28-21(26-5)11-19(15)29-14(17)2/h8-12H,6-7H2,1-5H3,(H,26,28)(H2,27,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/a



Deciphera Pharmaceuticals, LLC; Eli Lilly and Company

US Patent


Assay Description
Sample preparation: A375 cells from ATCC are lysed by sonication in commercially available lysis buffer, cleared by centrifugation, and the resulting...


US Patent US9187474 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6HWK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM192504
PNG
(US9187474, 76)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)F)c(F)cc1C
Show InChI InChI=1S/C23H27F2N5O/c1-13-8-18(24)20(30-22(31)27-7-6-23(3,4)25)10-16(13)17-9-15-12-28-21(26-5)11-19(15)29-14(17)2/h8-12H,6-7H2,1-5H3,(H,26,28)(H2,27,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/a



Deciphera Pharmaceuticals, LLC; Eli Lilly and Company

US Patent


Assay Description
Sample preparation: A375 cells from ATCC are lysed by sonication in commercially available lysis buffer, cleared by centrifugation, and the resulting...


US Patent US9187474 (2015)


BindingDB Entry DOI: 10.7270/Q2HH6HWK
More data for this
Ligand-Target Pair