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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lyn' and Ligand = 'BDBM50432373'   
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
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of LYNB (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50432373
PNG
(CHEMBL2348417)
Show SMILES OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
Show InChI InChI=1S/C25H22ClN5O3S/c26-19-13-16(4-5-21(19)34-20-2-1-3-22-17(20)7-11-35-22)31-24-18-12-15(25(33)28-9-10-32)6-8-27-23(18)29-14-30-24/h1-5,7,11-14,32H,6,8-10H2,(H,28,33)(H2,27,29,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 9.80E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of LYNA (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay


Bioorg Med Chem 21: 2250-61 (2013)


Article DOI: 10.1016/j.bmc.2013.02.014
BindingDB Entry DOI: 10.7270/Q2TT4S9D
More data for this
Ligand-Target Pair