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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 = 'BDBM296515'   
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))
BDBM296515
PNG
(US10112942, Example 249 | US10137124, Example 249 ...)
Show SMILES CC(C)(O)COc1cc(-c2ccc(nc2)N2CC3CC(C2)N3Cc2ccc3ncccc3c2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C32H31N7O2/c1-32(2,40)20-41-27-12-28(31-24(13-33)15-36-39(31)19-27)23-6-8-30(35-14-23)37-17-25-11-26(18-37)38(25)16-21-5-7-29-22(10-21)4-3-9-34-29/h3-10,12,14-15,19,25-26,40H,11,16-18,20H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10.6n/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))
BDBM296515
PNG
(US10112942, Example 249 | US10137124, Example 249 ...)
Show SMILES CC(C)(O)COc1cc(-c2ccc(nc2)N2CC3CC(C2)N3Cc2ccc3ncccc3c2)c2c(cnn2c1)C#N
Show InChI InChI=1S/C32H31N7O2/c1-32(2,40)20-41-27-12-28(31-24(13-33)15-36-39(31)19-27)23-6-8-30(35-14-23)37-17-25-11-26(18-37)38(25)16-21-5-7-29-22(10-21)4-3-9-34-29/h3-10,12,14-15,19,25-26,40H,11,16-18,20H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10.6n/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