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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Mer' and Ligand = 'BDBM50444285'   
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 Mer


(Homo sapiens (Human))
BDBM50444285
PNG
(CHEMBL3093636 | US9649309, Compound UNC2082A)
Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NC2CCCCC2)n1
Show InChI InChI=1S/C25H36N6O4S/c1-2-3-13-26-25-27-18-22(23(30-25)28-19-7-5-4-6-8-19)24(32)29-20-9-11-21(12-10-20)36(33,34)31-14-16-35-17-15-31/h9-12,18-19H,2-8,13-17H2,1H3,(H,29,32)(H2,26,27,28,30)
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US Patent
n/an/a 550n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


BindingDB Entry DOI: 10.7270/Q26Q209H
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50444285
PNG
(CHEMBL3093636 | US9649309, Compound UNC2082A)
Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NC2CCCCC2)n1
Show InChI InChI=1S/C25H36N6O4S/c1-2-3-13-26-25-27-18-22(23(30-25)28-19-7-5-4-6-8-19)24(32)29-20-9-11-21(12-10-20)36(33,34)31-14-16-35-17-15-31/h9-12,18-19H,2-8,13-17H2,1H3,(H,29,32)(H2,26,27,28,30)
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Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh

Curated by ChEMBL


Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay


J Med Chem 56: 9693-700 (2014)


Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1
More data for this
Ligand-Target Pair