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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 = 'BDBM50458627'   
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))
BDBM50458627
PNG
(CHEMBL4218127)
Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)O)c(c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C26H26F4N2O4/c1-4-36-22-12-23(33)31-14-19(22)15-5-6-16(21(27)9-15)10-24(34)32-18-8-7-17(13-25(2,3)35)20(11-18)26(28,29)30/h5-9,11-12,14,35H,4,10,13H2,1-3H3,(H,31,33)(H,32,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...


ACS Med Chem Lett 9: 623-628 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00035
BindingDB Entry DOI: 10.7270/Q2TB19GW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50458627
PNG
(CHEMBL4218127)
Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)O)c(c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C26H26F4N2O4/c1-4-36-22-12-23(33)31-14-19(22)15-5-6-16(21(27)9-15)10-24(34)32-18-8-7-17(13-25(2,3)35)20(11-18)26(28,29)30/h5-9,11-12,14,35H,4,10,13H2,1-3H3,(H,31,33)(H,32,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA


ACS Med Chem Lett 9: 623-628 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00035
BindingDB Entry DOI: 10.7270/Q2TB19GW
More data for this
Ligand-Target Pair