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BDBM50134790 CHEMBL3754247

SMILES: CC(C)n1nc(-c2cc(on2)-c2ccccn2)c2c(N)ncnc12

InChI Key: InChIKey=OGYKRHXGMVISFY-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50134790   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50134790
PNG
(CHEMBL3754247)
Show SMILES CC(C)n1nc(-c2cc(on2)-c2ccccn2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15N7O/c1-9(2)23-16-13(15(17)19-8-20-16)14(21-23)11-7-12(24-22-11)10-5-3-4-6-18-10/h3-9H,1-2H3,(H2,17,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 910n/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))
BDBM50134790
PNG
(CHEMBL3754247)
Show SMILES CC(C)n1nc(-c2cc(on2)-c2ccccn2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15N7O/c1-9(2)23-16-13(15(17)19-8-20-16)14(21-23)11-7-12(24-22-11)10-5-3-4-6-18-10/h3-9H,1-2H3,(H2,17,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.88E+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