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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Mer' and Ligand = 'BDBM50444241'   
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))
BDBM50444241
PNG
(CHEMBL3093756 | US9649309, Compound UNC2881A)
Show SMILES CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2ccnc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(48.43,-9.69,;49.77,-8.92,;51.1,-9.69,;52.43,-8.92,;53.77,-9.69,;55.1,-8.93,;56.43,-9.7,;57.77,-8.92,;57.77,-7.37,;59.1,-6.6,;59.09,-5.06,;60.43,-7.36,;61.76,-6.59,;63.1,-7.35,;63.1,-8.89,;64.44,-9.66,;65.77,-8.88,;65.76,-7.33,;64.42,-6.58,;67.11,-9.64,;68.5,-9.01,;69.54,-10.15,;68.78,-11.49,;67.27,-11.18,;56.43,-6.61,;56.43,-5.07,;55.09,-4.3,;53.76,-5.08,;52.42,-4.31,;52.42,-2.77,;51.09,-2,;53.75,-2,;55.08,-2.77,;55.1,-7.38,)|
Show InChI InChI=1S/C25H33N7O2/c1-2-3-12-27-25-29-16-22(23(31-25)30-19-6-10-21(33)11-7-19)24(34)28-15-18-4-8-20(9-5-18)32-14-13-26-17-32/h4-5,8-9,13-14,16-17,19,21,33H,2-3,6-7,10-12,15H2,1H3,(H,28,34)(H2,27,29,30,31)/t19-,21-
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30n/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
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50444241
PNG
(CHEMBL3093756 | US9649309, Compound UNC2881A)
Show SMILES CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2ccnc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(48.43,-9.69,;49.77,-8.92,;51.1,-9.69,;52.43,-8.92,;53.77,-9.69,;55.1,-8.93,;56.43,-9.7,;57.77,-8.92,;57.77,-7.37,;59.1,-6.6,;59.09,-5.06,;60.43,-7.36,;61.76,-6.59,;63.1,-7.35,;63.1,-8.89,;64.44,-9.66,;65.77,-8.88,;65.76,-7.33,;64.42,-6.58,;67.11,-9.64,;68.5,-9.01,;69.54,-10.15,;68.78,-11.49,;67.27,-11.18,;56.43,-6.61,;56.43,-5.07,;55.09,-4.3,;53.76,-5.08,;52.42,-4.31,;52.42,-2.77,;51.09,-2,;53.75,-2,;55.08,-2.77,;55.1,-7.38,)|
Show InChI InChI=1S/C25H33N7O2/c1-2-3-12-27-25-29-16-22(23(31-25)30-19-6-10-21(33)11-7-19)24(34)28-15-18-4-8-20(9-5-18)32-14-13-26-17-32/h4-5,8-9,13-14,16-17,19,21,33H,2-3,6-7,10-12,15H2,1H3,(H,28,34)(H2,27,29,30,31)/t19-,21-
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US Patent
n/an/a 4.30n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent




US Patent US9649309 (2017)


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


(Homo sapiens (Human))
BDBM50444241
PNG
(CHEMBL3093756 | US9649309, Compound UNC2881A)
Show SMILES CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2ccnc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(48.43,-9.69,;49.77,-8.92,;51.1,-9.69,;52.43,-8.92,;53.77,-9.69,;55.1,-8.93,;56.43,-9.7,;57.77,-8.92,;57.77,-7.37,;59.1,-6.6,;59.09,-5.06,;60.43,-7.36,;61.76,-6.59,;63.1,-7.35,;63.1,-8.89,;64.44,-9.66,;65.77,-8.88,;65.76,-7.33,;64.42,-6.58,;67.11,-9.64,;68.5,-9.01,;69.54,-10.15,;68.78,-11.49,;67.27,-11.18,;56.43,-6.61,;56.43,-5.07,;55.09,-4.3,;53.76,-5.08,;52.42,-4.31,;52.42,-2.77,;51.09,-2,;53.75,-2,;55.08,-2.77,;55.1,-7.38,)|
Show InChI InChI=1S/C25H33N7O2/c1-2-3-12-27-25-29-16-22(23(31-25)30-19-6-10-21(33)11-7-19)24(34)28-15-18-4-8-20(9-5-18)32-14-13-26-17-32/h4-5,8-9,13-14,16-17,19,21,33H,2-3,6-7,10-12,15H2,1H3,(H,28,34)(H2,27,29,30,31)/t19-,21-
PDB
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US Patent
n/an/a<10n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent




US Patent US9649309 (2017)


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


(Homo sapiens (Human))
BDBM50444241
PNG
(CHEMBL3093756 | US9649309, Compound UNC2881A)
Show SMILES CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2ccnc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(48.43,-9.69,;49.77,-8.92,;51.1,-9.69,;52.43,-8.92,;53.77,-9.69,;55.1,-8.93,;56.43,-9.7,;57.77,-8.92,;57.77,-7.37,;59.1,-6.6,;59.09,-5.06,;60.43,-7.36,;61.76,-6.59,;63.1,-7.35,;63.1,-8.89,;64.44,-9.66,;65.77,-8.88,;65.76,-7.33,;64.42,-6.58,;67.11,-9.64,;68.5,-9.01,;69.54,-10.15,;68.78,-11.49,;67.27,-11.18,;56.43,-6.61,;56.43,-5.07,;55.09,-4.3,;53.76,-5.08,;52.42,-4.31,;52.42,-2.77,;51.09,-2,;53.75,-2,;55.08,-2.77,;55.1,-7.38,)|
Show InChI InChI=1S/C25H33N7O2/c1-2-3-12-27-25-29-16-22(23(31-25)30-19-6-10-21(33)11-7-19)24(34)28-15-18-4-8-20(9-5-18)32-14-13-26-17-32/h4-5,8-9,13-14,16-17,19,21,33H,2-3,6-7,10-12,15H2,1H3,(H,28,34)(H2,27,29,30,31)/t19-,21-
PDB
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n/an/a 22n/an/an/an/an/an/a



Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh

Curated by ChEMBL


Assay Description
Inhibition of Mer kinase phosphorylation in human 697 B-ALL cells after 1 hr by Western blot analysis


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