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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 = 'BDBM296581'   
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))
BDBM296581
PNG
(US10112942, Example 315 | US10137124, Example 315 ...)
Show SMILES COc1c(F)cc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cc1F
Show InChI InChI=1S/C30H30F2N6O3/c1-30(2,39)17-41-23-9-24(28-20(10-33)12-35-38(28)16-23)19-4-5-27(34-11-19)36-14-21-8-22(15-36)37(21)13-18-6-25(31)29(40-3)26(32)7-18/h4-7,9,11-12,16,21-22,39H,8,13-15,17H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.60n/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))
BDBM296581
PNG
(US10112942, Example 315 | US10137124, Example 315 ...)
Show SMILES COc1c(F)cc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cc1F
Show InChI InChI=1S/C30H30F2N6O3/c1-30(2,39)17-41-23-9-24(28-20(10-33)12-35-38(28)16-23)19-4-5-27(34-11-19)36-14-21-8-22(15-36)37(21)13-18-6-25(31)29(40-3)26(32)7-18/h4-7,9,11-12,16,21-22,39H,8,13-15,17H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.60n/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