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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 = 'BDBM50384610'   
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))
BDBM50384610
PNG
(CHEMBL2036803 | US9744172, Compound UNC00000472A)
Show SMILES NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCc4ccccc4)nc23)CC1 |(46.58,-5.67,;47.62,-4.53,;47.15,-3.06,;48.18,-1.92,;49.69,-2.25,;50.72,-1.11,;50.24,.36,;51.15,1.61,;50.24,2.87,;50.71,4.33,;52.22,4.65,;52.7,6.11,;51.67,7.26,;50.15,6.93,;49.69,5.47,;48.76,2.39,;47.43,3.15,;46.1,2.38,;46.1,.84,;44.76,.07,;43.43,.84,;43.43,2.38,;42.1,3.15,;42.11,4.69,;40.78,5.46,;39.44,4.69,;39.44,3.14,;40.78,2.38,;47.43,.06,;48.76,.84,;50.16,-3.71,;49.13,-4.85,)|
Show InChI InChI=1S/C26H30N6/c27-22-13-11-20(12-14-22)18-32-25-23(24(31-32)21-9-5-2-6-10-21)17-29-26(30-25)28-16-15-19-7-3-1-4-8-19/h1-10,17,20,22H,11-16,18,27H2,(H,28,29,30)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 13n/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))
BDBM50384610
PNG
(CHEMBL2036803 | US9744172, Compound UNC00000472A)
Show SMILES NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCc4ccccc4)nc23)CC1 |(46.58,-5.67,;47.62,-4.53,;47.15,-3.06,;48.18,-1.92,;49.69,-2.25,;50.72,-1.11,;50.24,.36,;51.15,1.61,;50.24,2.87,;50.71,4.33,;52.22,4.65,;52.7,6.11,;51.67,7.26,;50.15,6.93,;49.69,5.47,;48.76,2.39,;47.43,3.15,;46.1,2.38,;46.1,.84,;44.76,.07,;43.43,.84,;43.43,2.38,;42.1,3.15,;42.11,4.69,;40.78,5.46,;39.44,4.69,;39.44,3.14,;40.78,2.38,;47.43,.06,;48.76,.84,;50.16,-3.71,;49.13,-4.85,)|
Show InChI InChI=1S/C26H30N6/c27-22-13-11-20(12-14-22)18-32-25-23(24(31-32)21-9-5-2-6-10-21)17-29-26(30-25)28-16-15-19-7-3-1-4-8-19/h1-10,17,20,22H,11-16,18,27H2,(H,28,29,30)
PDB
MMDB

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PC cid
PC sid
UniChem

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