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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 = 'BDBM50384603'   
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))
BDBM50384603
PNG
(CHEMBL2036796 | US9744172, Compound UNC00000463A)
Show SMILES CCCCCNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(28.3,-45.79,;29.63,-46.56,;30.97,-45.8,;32.3,-46.57,;33.63,-45.8,;34.97,-46.57,;36.3,-45.8,;36.3,-44.26,;37.63,-43.48,;38.97,-44.25,;40.44,-43.77,;41.36,-45.02,;40.44,-46.28,;40.92,-47.74,;39.89,-48.89,;38.38,-48.56,;37.35,-49.69,;37.82,-51.16,;36.79,-52.3,;39.33,-51.49,;40.37,-50.34,;38.97,-45.8,;37.64,-46.57,;40.92,-42.3,;42.43,-41.99,;42.9,-40.53,;41.87,-39.38,;40.36,-39.71,;39.89,-41.17,)|
Show InChI InChI=1S/C23H32N6/c1-2-3-7-14-25-23-26-15-20-21(18-8-5-4-6-9-18)28-29(22(20)27-23)16-17-10-12-19(24)13-11-17/h4-6,8-9,15,17,19H,2-3,7,10-14,16,24H2,1H3,(H,25,26,27)
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Article
PubMed
n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr...


ACS Med Chem Lett 3: 129-134 (2012)


Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384603
PNG
(CHEMBL2036796 | US9744172, Compound UNC00000463A)
Show SMILES CCCCCNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(28.3,-45.79,;29.63,-46.56,;30.97,-45.8,;32.3,-46.57,;33.63,-45.8,;34.97,-46.57,;36.3,-45.8,;36.3,-44.26,;37.63,-43.48,;38.97,-44.25,;40.44,-43.77,;41.36,-45.02,;40.44,-46.28,;40.92,-47.74,;39.89,-48.89,;38.38,-48.56,;37.35,-49.69,;37.82,-51.16,;36.79,-52.3,;39.33,-51.49,;40.37,-50.34,;38.97,-45.8,;37.64,-46.57,;40.92,-42.3,;42.43,-41.99,;42.9,-40.53,;41.87,-39.38,;40.36,-39.71,;39.89,-41.17,)|
Show InChI InChI=1S/C23H32N6/c1-2-3-7-14-25-23-26-15-20-21(18-8-5-4-6-9-18)28-29(22(20)27-23)16-17-10-12-19(24)13-11-17/h4-6,8-9,15,17,19H,2-3,7,10-14,16,24H2,1H3,(H,25,26,27)
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PC cid
PC sid
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Similars

US Patent
n/an/a 55n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
The ectopic expression of Mer receptor tyrosine kinase (Mer) has been identified as a tumor cell survival gene product in Acute Lymphoblastic Leukemi...


US Patent US9744172 (2017)


BindingDB Entry DOI: 10.7270/Q2PR7Z30
More data for this
Ligand-Target Pair