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SMILES: CCOc1cc(c[nH]c1=O)-c1ccc(CC(=O)Nc2ccc(CN3CCN(CC)CC3)c(c2)C(F)(F)F)c(F)c1

InChI Key: InChIKey=VDGHPSLOOLHULM-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 347333   
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
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114]


(Homo sapiens (Human))
BDBM347333
PNG
(2-(4-(5-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...)
Show SMILES CCOc1cc(c[nH]c1=O)-c1ccc(CC(=O)Nc2ccc(CN3CCN(CC)CC3)c(c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C29H32F4N4O3/c1-3-36-9-11-37(12-10-36)18-21-7-8-23(16-24(21)29(31,32)33)35-27(38)15-20-6-5-19(13-25(20)30)22-14-26(40-4-2)28(39)34-17-22/h5-8,13-14,16-17H,3-4,9-12,15,18H2,1-2H3,(H,34,39)(H,35,38)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED

US Patent


Assay Description
Human RET kinase cytoplasmic domain (amino acids 658-1114 of accession number NP_000314.1) was expressed as an N-terminal GST-fusion protein using a ...


US Patent US9789100 (2017)


BindingDB Entry DOI: 10.7270/Q2445PMG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114]


(Homo sapiens (Human))
BDBM347333
PNG
(2-(4-(5-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...)
Show SMILES CCOc1cc(c[nH]c1=O)-c1ccc(CC(=O)Nc2ccc(CN3CCN(CC)CC3)c(c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C29H32F4N4O3/c1-3-36-9-11-37(12-10-36)18-21-7-8-23(16-24(21)29(31,32)33)35-27(38)15-20-6-5-19(13-25(20)30)22-14-26(40-4-2)28(39)34-17-22/h5-8,13-14,16-17H,3-4,9-12,15,18H2,1-2H3,(H,34,39)(H,35,38)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED

US Patent


Assay Description
Human RET kinase cytoplasmic domain (amino acids 658-1114 of accession number NP_000314.1) was expressed as an N-terminal GST-fusion protein using a ...


US Patent US9789100 (2017)


BindingDB Entry DOI: 10.7270/Q2445PMG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114]


(Homo sapiens (Human))
BDBM347333
PNG
(2-(4-(5-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...)
Show SMILES CCOc1cc(c[nH]c1=O)-c1ccc(CC(=O)Nc2ccc(CN3CCN(CC)CC3)c(c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C29H32F4N4O3/c1-3-36-9-11-37(12-10-36)18-21-7-8-23(16-24(21)29(31,32)33)35-27(38)15-20-6-5-19(13-25(20)30)22-14-26(40-4-2)28(39)34-17-22/h5-8,13-14,16-17H,3-4,9-12,15,18H2,1-2H3,(H,34,39)(H,35,38)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED

US Patent


Assay Description
Human RET kinase cytoplasmic domain (amino acids 658-1114 of accession number NP_000314.1) was expressed as an N-terminal GST-fusion protein using a ...


US Patent US9789100 (2017)


BindingDB Entry DOI: 10.7270/Q2445PMG
More data for this
Ligand-Target Pair