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BDBM296869 US10111866, Example 2::US10292975, Example 2

SMILES: CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(OCCN(C)C)cc(c2)C(F)(F)F)c(F)c1

InChI Key: InChIKey=JCPFDKWEHMBUPR-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 296869   
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


(Homo sapiens (Human))
BDBM296869
PNG
(US10111866, Example 2 | US10292975, Example 2)
Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(OCCN(C)C)cc(c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C26H27F4N3O4/c1-4-36-23-14-24(34)31-15-21(23)16-5-6-17(22(27)9-16)10-25(35)32-19-11-18(26(28,29)30)12-20(13-19)37-8-7-33(2)3/h5-6,9,11-15H,4,7-8,10H2,1-3H3,(H,31,34)(H,32,35)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline

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 US10292975 (2019)

More data for this
Ligand-Target Pair
RET Kinase (aa658-end)


(Homo sapiens (Human))
BDBM296869
PNG
(US10111866, Example 2 | US10292975, Example 2)
Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(OCCN(C)C)cc(c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C26H27F4N3O4/c1-4-36-23-14-24(34)31-15-21(23)16-5-6-17(22(27)9-16)10-25(35)32-19-11-18(26(28,29)30)12-20(13-19)37-8-7-33(2)3/h5-6,9,11-15H,4,7-8,10H2,1-3H3,(H,31,34)(H,32,35)
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline

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 US10111866 (2018)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q2D220PR
More data for this
Ligand-Target Pair