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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114]' and Ligand = 'BDBM296709'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM296709
PNG
(US10112942, Example 444 | US10137124, Example 444 ...)
Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCC3CCN(C)CC3)cn3ncc(C#N)c23)cn1
Show InChI InChI=1S/C33H38N8O2/c1-38-10-7-23(8-11-38)9-12-43-29-14-30(33-26(15-34)18-37-41(33)22-29)25-4-5-31(35-17-25)39-20-27-13-28(21-39)40(27)19-24-3-6-32(42-2)36-16-24/h3-6,14,16-18,22-23,27-28H,7-13,19-21H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.80n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF KinEASE-TK assay techn...


US Patent US10555944 (2020)


BindingDB Entry DOI: 10.7270/Q279473N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [658-1114]


(Homo sapiens (Human))
BDBM296709
PNG
(US10112942, Example 444 | US10137124, Example 444 ...)
Show SMILES COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCCC3CCN(C)CC3)cn3ncc(C#N)c23)cn1
Show InChI InChI=1S/C33H38N8O2/c1-38-10-7-23(8-11-38)9-12-43-29-14-30(33-26(15-34)18-37-41(33)22-29)25-4-5-31(35-17-25)39-20-27-13-28(21-39)40(27)19-24-3-6-32(42-2)36-16-24/h3-6,14,16-18,22-23,27-28H,7-13,19-21H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.80n/an/an/an/an/an/a



Array BioPharma Inc.

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio's HTRF KinEASE -TK assay tech...


US Patent US10172851 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89CV
More data for this
Ligand-Target Pair