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3 similar compounds to monomer 50321730

Compile data set for download or QSAR
Wt: 396.9
BDBM50321728
Wt: 390.5
BDBM50321729
Wt: 439.9
BDBM50321731

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50321728,50321729,50321731   
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50321729
PNG
(2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(3-thienyl)-5,...)
Show SMILES O=C(CSc1nc2CCCCc2c(-c2ccsc2)c1C#N)c1ccccc1
Show InChI InChI=1S/C22H18N2OS2/c23-12-18-21(16-10-11-26-13-16)17-8-4-5-9-19(17)24-22(18)27-14-20(25)15-6-2-1-3-7-15/h1-3,6-7,10-11,13H,4-5,8-9,14H2
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Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histidine-tagged ALK (103-1459) expressed in Sf9 cells by ELISA


Eur J Med Chem 45: 2919-27 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.017
BindingDB Entry DOI: 10.7270/Q25X294R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50321728
PNG
(2-[(4-Chlorobenzyl)sulfanyl]-4-(3-thienyl)-5,6,7,8...)
Show SMILES Clc1ccc(CSc2nc3CCCCc3c(-c3ccsc3)c2C#N)cc1
Show InChI InChI=1S/C21H17ClN2S2/c22-16-7-5-14(6-8-16)12-26-21-18(11-23)20(15-9-10-25-13-15)17-3-1-2-4-19(17)24-21/h5-10,13H,1-4,12H2
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histidine-tagged RET (700-1020) expressed in Sf9 cells by ELISA


Eur J Med Chem 45: 2919-27 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.017
BindingDB Entry DOI: 10.7270/Q25X294R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50321729
PNG
(2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(3-thienyl)-5,...)
Show SMILES O=C(CSc1nc2CCCCc2c(-c2ccsc2)c1C#N)c1ccccc1
Show InChI InChI=1S/C22H18N2OS2/c23-12-18-21(16-10-11-26-13-16)17-8-4-5-9-19(17)24-22(18)27-14-20(25)15-6-2-1-3-7-15/h1-3,6-7,10-11,13H,4-5,8-9,14H2
PDB
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Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histidine-tagged ABL (230-517) expressed in Sf9 cells by ELISA


Eur J Med Chem 45: 2919-27 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.017
BindingDB Entry DOI: 10.7270/Q25X294R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50321731
PNG
(CHEMBL1172300 | N-(4-Chlorophenyl)-2-{[3-cyano-4-(...)
Show SMILES Clc1ccc(NC(=O)CSc2nc3CCCCc3c(-c3ccsc3)c2C#N)cc1
Show InChI InChI=1S/C22H18ClN3OS2/c23-15-5-7-16(8-6-15)25-20(27)13-29-22-18(11-24)21(14-9-10-28-12-14)17-3-1-2-4-19(17)26-22/h5-10,12H,1-4,13H2,(H,25,27)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histidine-tagged RET (700-1020) expressed in Sf9 cells by ELISA


Eur J Med Chem 45: 2919-27 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.017
BindingDB Entry DOI: 10.7270/Q25X294R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50321729
PNG
(2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(3-thienyl)-5,...)
Show SMILES O=C(CSc1nc2CCCCc2c(-c2ccsc2)c1C#N)c1ccccc1
Show InChI InChI=1S/C22H18N2OS2/c23-12-18-21(16-10-11-26-13-16)17-8-4-5-9-19(17)24-22(18)27-14-20(25)15-6-2-1-3-7-15/h1-3,6-7,10-11,13H,4-5,8-9,14H2
PDB
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histidine-tagged RET (700-1020) expressed in Sf9 cells by ELISA


Eur J Med Chem 45: 2919-27 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.017
BindingDB Entry DOI: 10.7270/Q25X294R
More data for this
Ligand-Target Pair