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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Mer' and Ligand = 'BDBM50444071'   
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))
BDBM50444071
PNG
(CHEMBL3092794)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(NC(=O)C2CCN(C)CC2)cn1 |r,wU:11.10,wD:14.14,(41.44,-46.25,;42.77,-45.48,;44.11,-46.25,;45.44,-45.48,;46.77,-46.25,;48.11,-45.48,;49.44,-46.25,;50.78,-45.48,;50.78,-43.93,;49.44,-43.17,;49.44,-41.63,;48.1,-40.86,;46.77,-41.63,;45.44,-40.86,;45.44,-39.32,;44.1,-38.54,;46.77,-38.55,;48.1,-39.31,;48.11,-43.94,;52.11,-43.16,;53.44,-43.93,;54.77,-43.15,;54.76,-41.61,;56.09,-40.83,;57.43,-41.6,;57.44,-43.14,;58.76,-40.82,;60.09,-41.59,;61.42,-40.82,;61.42,-39.28,;62.75,-38.51,;60.08,-38.51,;58.74,-39.29,;53.42,-40.85,;52.09,-41.62,)|
Show InChI InChI=1S/C26H39N7O2/c1-3-4-13-27-26-29-17-22(24(32-26)30-19-5-8-21(34)9-6-19)23-10-7-20(16-28-23)31-25(35)18-11-14-33(2)15-12-18/h7,10,16-19,21,34H,3-6,8-9,11-15H2,1-2H3,(H,31,35)(H2,27,29,30,32)/t19-,21-
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

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: 9683-92 (2014)


Article DOI: 10.1021/jm401387j
BindingDB Entry DOI: 10.7270/Q29W0GX8
More data for this
Ligand-Target Pair