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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' and Ligand = 'BDBM50134788'   
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


(Homo sapiens (Human))
BDBM50134788
PNG
(CHEMBL3752736)
Show SMILES CC(C)n1nc(C2=NOC(C2)c2ccccc2)c2c(N)ncnc12 |t:6|
Show InChI InChI=1S/C17H18N6O/c1-10(2)23-17-14(16(18)19-9-20-17)15(21-23)12-8-13(24-22-12)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H2,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 583n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50134788
PNG
(CHEMBL3752736)
Show SMILES CC(C)n1nc(C2=NOC(C2)c2ccccc2)c2c(N)ncnc12 |t:6|
Show InChI InChI=1S/C17H18N6O/c1-10(2)23-17-14(16(18)19-9-20-17)15(21-23)12-8-13(24-22-12)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H2,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.68E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP


J Med Chem 59: 358-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01522
BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair