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Compile Data Set for Download or QSAR

Found 8 hits from Deciphera Pharmaceuticals, LLC; Eli Lilly and Company   
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 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
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UniProtKB/SwissProt

B.MOAD
DrugBank
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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
C-RAF


(Homo sapiens (human))
BDBM192503
PNG
(US9187474, 18)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)ccc1F
Show InChI InChI=1S/C23H28FN5O/c1-14-17(10-15-13-27-21(25-5)12-20(15)28-14)18-11-16(6-7-19(18)24)29-22(30)26-9-8-23(2,3)4/h6-7,10-13H,8-9H2,1-5H3,(H,25,27)(H2,26,29,30)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

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

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
Serine/threonine-protein kinase A-Raf


(Homo sapiens (Human))
BDBM192503
PNG
(US9187474, 18)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)ccc1F
Show InChI InChI=1S/C23H28FN5O/c1-14-17(10-15-13-27-21(25-5)12-20(15)28-14)18-11-16(6-7-19(18)24)29-22(30)26-9-8-23(2,3)4/h6-7,10-13H,8-9H2,1-5H3,(H,25,27)(H2,26,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 31n/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 serine/threonine protein kinase


(Homo sapiens (human))
BDBM192503
PNG
(US9187474, 18)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)ccc1F
Show InChI InChI=1S/C23H28FN5O/c1-14-17(10-15-13-27-21(25-5)12-20(15)28-14)18-11-16(6-7-19(18)24)29-22(30)26-9-8-23(2,3)4/h6-7,10-13H,8-9H2,1-5H3,(H,25,27)(H2,26,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 35n/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
B-RAF V600E


(Homo sapiens (Human))
BDBM192503
PNG
(US9187474, 18)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)ccc1F
Show InChI InChI=1S/C23H28FN5O/c1-14-17(10-15-13-27-21(25-5)12-20(15)28-14)18-11-16(6-7-19(18)24)29-22(30)26-9-8-23(2,3)4/h6-7,10-13H,8-9H2,1-5H3,(H,25,27)(H2,26,29,30)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/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

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
C-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
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