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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase SRC' and Monomerid = 50198785   
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 Src


(Homo sapiens (Human))
BDBM50198785
PNG
(7-(2,6-dichlorophenyl)-N-(4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Clc1cccc(Cl)c1-c1ccc2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C25H23Cl2N5O/c26-20-4-3-5-21(27)24(20)17-6-11-22-23(16-17)30-31-25(29-22)28-18-7-9-19(10-8-18)33-15-14-32-12-1-2-13-32/h3-11,16H,1-2,12-15H2,(H,28,29,31)
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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



TargeGen Inc

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
BindingDB Entry DOI: 10.7270/Q29024MW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198785
PNG
(7-(2,6-dichlorophenyl)-N-(4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Clc1cccc(Cl)c1-c1ccc2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C25H23Cl2N5O/c26-20-4-3-5-21(27)24(20)17-6-11-22-23(16-17)30-31-25(29-22)28-18-7-9-19(10-8-18)33-15-14-32-12-1-2-13-32/h3-11,16H,1-2,12-15H2,(H,28,29,31)
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CHEMBL
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PC sid
UniChem

Patents


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US Patent
n/an/a 121n/an/an/an/an/a25



TargeGen Inc

US Patent


Assay Description
Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.


US Patent US8481536 (2013)


BindingDB Entry DOI: 10.7270/Q2GB22PZ
More data for this
Ligand-Target Pair