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Compile Data Set for Download or QSAR

Found 1699 hits of ic50 for UniProtKB: Q12866   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384584
PNG
(CHEMBL2036807 | US9744172, Compound UNC607A)
Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(cc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(41.81,-28.1,;42.85,-26.96,;44.35,-27.28,;45.39,-26.14,;44.91,-24.68,;45.94,-23.54,;45.47,-22.07,;46.38,-20.82,;45.47,-19.56,;45.94,-18.1,;47.45,-17.78,;47.93,-16.32,;46.9,-15.17,;45.38,-15.5,;44.91,-16.96,;47.36,-13.71,;48.87,-13.39,;49.35,-11.94,;48.32,-10.79,;46.81,-11.11,;46.33,-12.57,;43.99,-20.04,;42.66,-19.28,;41.33,-20.05,;41.33,-21.6,;39.99,-22.36,;38.66,-21.59,;38.66,-20.05,;37.33,-19.28,;37.33,-17.74,;38.67,-16.98,;38.67,-15.44,;37.34,-14.67,;36,-15.45,;36,-16.98,;42.66,-22.37,;43.99,-21.6,;43.41,-24.35,;42.38,-25.49,)|
Show InChI InChI=1S/C31H40N8/c32-26-12-8-24(9-13-26)22-39-30-28(21-35-31(36-30)34-16-4-7-23-5-2-1-3-6-23)29(37-39)25-10-14-27(15-11-25)38-19-17-33-18-20-38/h1-3,5-6,10-11,14-15,21,24,26,33H,4,7-9,12-13,16-20,22,32H2,(H,34,35,36)/t24-,26-
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n/an/a 0.150n/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))
BDBM50384583
PNG
(CHEMBL2036806)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(19.9,-18.03,;19.9,-19.57,;21.23,-20.34,;21.23,-21.88,;22.56,-22.65,;23.9,-21.88,;23.9,-20.34,;25.23,-19.57,;26.56,-20.33,;28.04,-19.85,;28.95,-21.11,;28.04,-22.36,;28.51,-23.83,;27.48,-24.97,;27.96,-26.43,;26.92,-27.57,;25.42,-27.25,;24.38,-28.39,;24.95,-25.78,;25.98,-24.64,;26.56,-21.88,;25.23,-22.65,;28.51,-18.39,;30.02,-18.07,;30.5,-16.61,;29.47,-15.46,;27.95,-15.79,;27.48,-17.25,;29.93,-14,;31.44,-13.68,;31.92,-12.22,;30.89,-11.08,;29.38,-11.39,;28.9,-12.86,)|
Show InChI InChI=1S/C26H38N8/c1-2-3-12-29-26-30-17-23-24(20-6-10-22(11-7-20)33-15-13-28-14-16-33)32-34(25(23)31-26)18-19-4-8-21(27)9-5-19/h6-7,10-11,17,19,21,28H,2-5,8-9,12-16,18,27H2,1H3,(H,29,30,31)/t19-,21-
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n/an/a 0.25n/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))
BDBM308226
PNG
(US9649309, Compound UNC4103A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNCC23CC4CC(CC(C4)C2)C3)cn1 |r,wU:11.10,wD:14.14,TLB:33:32:35:29.28.27,33:28:35:32.34.31,25:26:29:32.33.31,THB:34:32:29:35.26.27,34:26:29:32.33.31,(-10,-3.85,;-8.67,-3.08,;-7.33,-3.85,;-6,-3.08,;-4.66,-3.85,;-3.33,-3.08,;-2,-3.85,;-.66,-3.08,;-.66,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.66,.77,;-6,1.54,;-6,3.08,;-7.33,3.85,;-4.66,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.34,-.77,;3.34,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;7.92,-.39,;7.9,-2.8,;6.5,-3.44,;7.34,-1.54,;8.67,-2.31,;10,-1.54,;9.1,-3.46,;10,0,;7.34,0,;2,1.54,;.67,.77,)|
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n/an/a 0.430n/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))
BDBM308193
PNG
(US9649309, Compound UNC2571A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCc2ccncc2)cn1 |r,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;10.67,.77,;9.34,1.54,;1.33,1.54,;,.77,)|
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n/an/a 0.470n/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))
BDBM308186
PNG
(US9649309, Compound UNC2550A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNC2CCC2)cn1 |r,wD:14.14,(-9.61,-3.85,;-8.28,-3.08,;-6.94,-3.85,;-5.61,-3.08,;-4.28,-3.85,;-2.94,-3.08,;-1.61,-3.85,;-.28,-3.08,;-.28,-1.54,;-1.61,-.77,;-1.61,.77,;-2.94,1.54,;-4.28,.77,;-5.61,1.54,;-5.61,3.08,;-6.94,3.85,;-4.28,3.85,;-2.94,3.08,;-2.94,-1.54,;1.06,-.77,;2.39,-1.54,;3.72,-.77,;3.72,.77,;5.06,1.54,;6.39,.77,;7.73,1.54,;9.21,1.14,;9.61,2.63,;8.12,3.03,;2.39,1.54,;1.06,.77,)|
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n/an/a 0.490n/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))
BDBM308189
PNG
(US9649309, Compound UNC2547A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCC2CC2)cn1 |r,wD:14.14,(-10.08,-3.85,;-8.75,-3.08,;-7.41,-3.85,;-6.08,-3.08,;-4.74,-3.85,;-3.41,-3.08,;-2.08,-3.85,;-.74,-3.08,;-.74,-1.54,;-2.08,-.77,;-2.08,.77,;-3.41,1.54,;-4.74,.77,;-6.08,1.54,;-6.08,3.08,;-7.41,3.85,;-4.74,3.85,;-3.41,3.08,;-3.41,-1.54,;.59,-.77,;1.92,-1.54,;3.26,-.77,;3.26,.77,;4.59,1.54,;5.92,.77,;7.26,1.54,;8.59,.77,;9.68,-.32,;10.08,1.17,;1.92,1.54,;.59,.77,)|
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n/an/a 0.560n/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))
BDBM50055498
PNG
(CHEMBL3326004 | US9795606, B28)
Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(c(F)c1)S(=O)(=O)N1CCN(C)CC1 |r,wU:12.11,wD:15.15,(-3.17,-12.13,;-1.85,-11.36,;-.52,-12.13,;.83,-11.36,;2.16,-12.13,;3.49,-11.36,;3.49,-9.82,;4.82,-9.05,;6.15,-9.81,;7.63,-9.33,;8.54,-10.59,;7.63,-11.84,;8.11,-13.31,;9.61,-13.63,;10.08,-15.1,;9.05,-16.24,;9.52,-17.7,;7.54,-15.91,;7.07,-14.45,;6.16,-11.36,;4.82,-12.13,;8.11,-7.87,;9.62,-7.55,;10.09,-6.1,;9.07,-4.95,;7.56,-5.27,;6.54,-4.12,;7.08,-6.73,;9.55,-3.48,;8.06,-3.08,;9.15,-1.99,;11.06,-3.18,;12.07,-4.34,;13.57,-4.04,;14.07,-2.59,;15.58,-2.29,;13.05,-1.43,;11.54,-1.73,)|
Show InChI InChI=1/C27H37FN6O3S/c1-3-4-11-29-27-30-17-22-23(18-34(26(22)31-27)20-6-8-21(35)9-7-20)19-5-10-25(24(28)16-19)38(36,37)33-14-12-32(2)13-15-33/h5,10,16-18,20-21,35H,3-4,6-9,11-15H2,1-2H3,(H,29,30,31)/t20-,21-
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n/an/a 0.570n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Mer (unknown origin) by Off-chip Mobility Shift Assay


J Med Chem 57: 7031-41 (2014)


Article DOI: 10.1021/jm500749d
BindingDB Entry DOI: 10.7270/Q2K075XQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM308318
PNG
(US9649309, Compound UNC3667A)
Show SMILES CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(cn1)C1(CCCC1)N1CCOCC1 |(-9.34,-3.88,;-8,-3.11,;-6.67,-3.88,;-5.33,-3.11,;-4,-3.88,;-2.67,-3.11,;-1.33,-3.88,;,-3.11,;,-1.57,;-1.33,-.8,;-1.33,.74,;-2.67,1.51,;-2.67,3.05,;-4,3.82,;-5.33,3.05,;-6.67,3.82,;-5.33,1.51,;-4,.74,;-2.67,-1.57,;1.33,-.8,;2.67,-1.57,;4,-.8,;4,.74,;2.67,1.51,;1.33,.74,;5.33,1.51,;6.58,2.42,;6.1,3.88,;4.56,3.88,;4.09,2.42,;6.67,.74,;6.67,-.8,;8,-1.57,;9.34,-.8,;9.34,.74,;8,1.51,)|
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n/an/a 0.610n/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))
BDBM308188
PNG
(US9649309, Compound UNC2489A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNC2CCCC2)cn1 |r,wD:14.14,(-9.85,-3.85,;-8.52,-3.08,;-7.19,-3.85,;-5.85,-3.08,;-4.52,-3.85,;-3.19,-3.08,;-1.85,-3.85,;-.52,-3.08,;-.52,-1.54,;-1.85,-.77,;-1.85,.77,;-3.19,1.54,;-4.52,.77,;-5.85,1.54,;-5.85,3.08,;-7.19,3.85,;-4.52,3.85,;-3.19,3.08,;-3.19,-1.54,;.82,-.77,;2.15,-1.54,;3.48,-.77,;3.48,.77,;4.82,1.54,;6.15,.77,;7.48,1.54,;8.95,1.06,;9.85,2.31,;8.95,3.56,;7.48,3.08,;2.15,1.54,;.82,.77,)|
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n/an/a 0.630n/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))
BDBM308349
PNG
(US9649309, Compound UNC4160A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC(C)(C)C)cn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;8,3.08,;9.34,2.31,;2.67,1.54,;1.33,.77,)|
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n/an/a 0.670n/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))
BDBM50444070
PNG
(CHEMBL3092795)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CCCCC2)cn1 |r,wU:11.10,wD:14.14,(-.85,-56.03,;.49,-55.27,;1.83,-56.04,;3.16,-55.27,;4.49,-56.04,;5.83,-55.27,;7.16,-56.04,;8.5,-55.27,;8.49,-53.72,;7.16,-52.95,;7.15,-51.42,;5.82,-50.65,;4.49,-51.42,;3.16,-50.65,;3.15,-49.1,;1.82,-48.33,;4.49,-48.34,;5.82,-49.1,;5.83,-53.73,;9.83,-52.94,;11.16,-53.71,;12.49,-52.94,;12.48,-51.4,;13.81,-50.62,;15.15,-51.39,;16.48,-50.61,;17.81,-51.38,;19.14,-50.61,;19.14,-49.07,;17.8,-48.3,;16.46,-49.08,;11.14,-50.63,;9.81,-51.41,)|
Show InChI InChI=1S/C26H40N6O/c1-2-3-15-27-26-30-18-23(25(32-26)31-21-10-12-22(33)13-11-21)24-14-9-19(17-29-24)16-28-20-7-5-4-6-8-20/h9,14,17-18,20-22,28,33H,2-8,10-13,15-16H2,1H3,(H2,27,30,31,32)/t21-,22-
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n/an/a 0.690n/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
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM308181
PNG
(US9649309, Compound UNC2432A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNC2CCCCC2)cn1 |r,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;10,3.08,;8.67,3.85,;7.34,3.08,;2,1.54,;.67,.77,)|
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n/an/a 0.690n/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))
BDBM308201
PNG
(US9649309, Compound UNC2606A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(cn1)C(=O)NC1CCN(C)CC1 |r,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;4,1.54,;4,3.08,;5.33,.77,;6.67,1.54,;8,.77,;9.34,1.54,;9.34,3.08,;10.67,3.85,;8,3.85,;6.67,3.08,)|
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n/an/a 0.690n/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))
BDBM50444072
PNG
(CHEMBL3092793)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)C(=O)NC1CCN(C)CC1 |r,wU:11.10,wD:14.14,(42.31,-47.3,;43.64,-46.53,;44.98,-47.3,;46.31,-46.53,;47.64,-47.3,;48.98,-46.53,;50.31,-47.3,;51.65,-46.53,;51.65,-44.98,;50.31,-44.22,;50.31,-42.68,;48.97,-41.91,;47.64,-42.68,;46.31,-41.91,;46.31,-40.36,;44.97,-39.59,;47.64,-39.6,;48.97,-40.36,;48.98,-44.99,;52.98,-44.2,;54.31,-44.98,;55.64,-44.2,;55.63,-42.66,;54.29,-41.9,;52.96,-42.67,;56.96,-41.88,;56.95,-40.34,;58.3,-42.65,;59.63,-41.87,;60.96,-42.64,;62.29,-41.87,;62.29,-40.33,;63.62,-39.56,;60.95,-39.56,;59.61,-40.34,)|
Show InChI InChI=1S/C26H39N7O2/c1-3-4-13-27-26-29-17-22(24(32-26)30-19-6-8-21(34)9-7-19)23-10-5-18(16-28-23)25(35)31-20-11-14-33(2)15-12-20/h5,10,16-17,19-21,34H,3-4,6-9,11-15H2,1-2H3,(H,31,35)(H2,27,29,30,32)/t19-,21-
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n/an/a 0.690n/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
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50444073
PNG
(CHEMBL3092792)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)S(=O)(=O)N1CCOCC1 |r,wU:11.10,wD:14.14,(17.06,-43.23,;18.4,-42.47,;19.73,-43.24,;21.06,-42.47,;22.4,-43.24,;23.73,-42.47,;25.07,-43.24,;26.4,-42.47,;26.4,-40.92,;25.06,-40.15,;25.06,-38.61,;23.72,-37.85,;22.4,-38.62,;21.06,-37.85,;21.06,-36.3,;19.73,-35.53,;22.39,-35.54,;23.72,-36.3,;23.73,-40.93,;27.73,-40.14,;29.06,-40.91,;30.39,-40.14,;30.39,-38.6,;29.04,-37.83,;27.72,-38.61,;31.72,-37.82,;32.48,-36.48,;30.94,-36.49,;33.05,-38.59,;33.05,-40.13,;34.38,-40.89,;35.71,-40.12,;35.71,-38.58,;34.37,-37.81,)|
Show InChI InChI=1S/C23H34N6O4S/c1-2-3-10-24-23-26-16-20(22(28-23)27-17-4-6-18(30)7-5-17)21-9-8-19(15-25-21)34(31,32)29-11-13-33-14-12-29/h8-9,15-18,30H,2-7,10-14H2,1H3,(H2,24,26,27,28)/t17-,18-
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n/an/a 0.700n/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
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50055496
PNG
(CHEMBL3326006)
Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)|
Show InChI InChI=1/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24-
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n/an/a 0.740n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Mer (unknown origin) by Off-chip Mobility Shift Assay


J Med Chem 57: 7031-41 (2014)


Article DOI: 10.1021/jm500749d
BindingDB Entry DOI: 10.7270/Q2K075XQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50384582
PNG
(CHEMBL2036805)
Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(nc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(11.21,-28.56,;12.24,-27.41,;13.75,-27.74,;14.79,-26.59,;14.31,-25.14,;15.34,-24,;14.86,-22.53,;15.77,-21.28,;14.86,-20.02,;15.34,-18.56,;14.31,-17.42,;14.78,-15.96,;16.29,-15.63,;17.32,-16.78,;16.84,-18.24,;16.76,-14.17,;18.27,-13.85,;18.74,-12.39,;17.71,-11.25,;16.21,-11.56,;15.72,-13.03,;13.39,-20.5,;12.05,-19.74,;10.72,-20.51,;10.72,-22.05,;9.39,-22.82,;8.05,-22.05,;8.05,-20.51,;6.72,-19.74,;6.72,-18.2,;8.06,-17.44,;8.06,-15.9,;6.73,-15.13,;5.39,-15.9,;5.4,-17.44,;12.05,-22.82,;13.39,-22.05,;12.8,-24.81,;11.77,-25.95,)|
Show InChI InChI=1S/C30H39N9/c31-25-11-8-23(9-12-25)21-39-29-26(20-35-30(36-29)33-14-4-7-22-5-2-1-3-6-22)28(37-39)24-10-13-27(34-19-24)38-17-15-32-16-18-38/h1-3,5-6,10,13,19-20,23,25,32H,4,7-9,11-12,14-18,21,31H2,(H,33,35,36)/t23-,25-
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n/an/a 0.760n/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))
BDBM308194
PNG
(US9649309, Compound UNC2572A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCc2ccccc2)cn1 |r,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;10.67,.77,;9.34,1.54,;1.33,1.54,;,.77,)|
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n/an/a 0.760n/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))
BDBM50201078
PNG
(CHEMBL3964573)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCC[C@H](N)C(=O)NCCCCCCCCNc4ncc2c3n4)CC1 |r|
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n/an/a 0.800n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MerTK (unknown origin) by microfluidic capillary electrophoresis assay


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM308192
PNG
(US9649309, Compound UNC2546A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCCO)cn1 |r,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;2,1.54,;.67,.77,)|
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n/an/a 0.810n/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))
BDBM308354
PNG
(US9649309, Compound UNC4169A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2C3CCC2CCC3)cn1 |r,wU:11.10,wD:14.14,TLB:23:24:26.27:29.31.30,(-8.88,-3.81,;-7.54,-3.04,;-6.21,-3.81,;-4.88,-3.04,;-3.54,-3.81,;-2.21,-3.04,;-.88,-3.81,;.46,-3.04,;.46,-1.5,;-.88,-.73,;-.88,.81,;-2.21,1.58,;-3.54,.81,;-4.88,1.58,;-4.88,3.12,;-6.21,3.89,;-3.54,3.89,;-2.21,3.12,;-2.21,-1.5,;1.79,-.73,;3.13,-1.5,;4.46,-.73,;4.46,.81,;5.79,1.58,;7.13,.81,;6.82,-2.22,;5.39,-2.78,;6.04,-1.39,;7.45,-.78,;8.86,-1.39,;8.88,-3.89,;8.25,-2.78,;3.13,1.58,;1.79,.81,)|
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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))
BDBM50444068
PNG
(CHEMBL3092797)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNCCO)cn1 |r,wU:11.10,wD:14.14,(43.3,-58.78,;44.63,-58.01,;45.97,-58.78,;47.3,-58.01,;48.63,-58.78,;49.97,-58.01,;51.3,-58.78,;52.64,-58.01,;52.63,-56.46,;51.3,-55.7,;51.29,-54.16,;49.96,-53.39,;48.63,-54.16,;47.29,-53.39,;47.29,-51.84,;45.96,-51.07,;48.63,-51.08,;49.96,-51.84,;49.97,-56.47,;53.96,-55.68,;55.3,-56.46,;56.63,-55.68,;56.62,-54.14,;57.95,-53.36,;59.29,-54.13,;60.62,-53.35,;61.96,-54.11,;63.28,-53.34,;55.27,-53.38,;53.95,-54.15,)|
Show InChI InChI=1S/C22H34N6O2/c1-2-3-10-24-22-26-15-19(20-9-4-16(14-25-20)13-23-11-12-29)21(28-22)27-17-5-7-18(30)8-6-17/h4,9,14-15,17-18,23,29-30H,2-3,5-8,10-13H2,1H3,(H2,24,26,27,28)/t17-,18-
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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
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM308229
PNG
(US9649309, Compound UNC4162A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN(CC)CC)cn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;6.67,-.77,;5.33,-1.54,;2.67,1.54,;1.33,.77,)|
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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))
BDBM308198
PNG
(US9649309, Compound UNC2251B)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCN(C)CC2)cn1 |r,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)|
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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))
BDBM308351
PNG
(US9649309, Compound UNC4167A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2C3CCC2CC3)cn1 |r,wU:11.10,wD:14.14,THB:23:24:30.29:26.27,(-9.63,-3.85,;-8.29,-3.08,;-6.96,-3.85,;-5.63,-3.08,;-4.29,-3.85,;-2.96,-3.08,;-1.63,-3.85,;-.29,-3.08,;-.29,-1.54,;-1.63,-.77,;-1.63,.77,;-2.96,1.54,;-4.29,.77,;-5.63,1.54,;-5.63,3.08,;-6.96,3.85,;-4.29,3.85,;-2.96,3.08,;-2.96,-1.54,;1.04,-.77,;2.37,-1.54,;3.71,-.77,;3.71,.77,;5.04,1.54,;6.38,.77,;8.87,2.01,;9.63,.92,;8.09,.92,;7.33,2.01,;7.33,3.5,;8.87,3.5,;2.37,1.54,;1.04,.77,)|
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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))
BDBM308317
PNG
(US9649309, Compound UNC3666A)
Show SMILES CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(cn1)C1(CCC1)N1CCOCC1 |(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-5.33,1.54,;-4,.77,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.33,.77,;5.33,1.54,;6.42,2.63,;5.33,3.72,;4.25,2.63,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,)|
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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))
BDBM308335
PNG
(US9649309, Compound UNC4242A)
Show SMILES Cc1ccc(Nc2ncc(c(N[C@H]3CC[C@H](O)CC3)n2)-c2ccc(CN3CCCC3)cn2)cc1 |r,wU:12.11,wD:15.15,(-9.19,-.77,;-7.85,-1.54,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,;-5.19,-1.54,;-6.52,-.77,)|
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US Patent US9649309 (2017)


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


(Homo sapiens (Human))
BDBM308350
PNG
(US9649309, Compound UNC4166A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC23CC4CC(CC(C4)C2)C3)cn1 |r,wU:11.10,wD:14.14,TLB:24:25:28:31.32.30,32:31:34:28.27.26,32:27:34:31.33.30,THB:33:31:28:34.25.26,33:25:28:31.32.30,(-9.75,-4.66,;-8.41,-3.89,;-7.08,-4.66,;-5.75,-3.89,;-4.41,-4.66,;-3.08,-3.89,;-1.75,-4.66,;-.41,-3.89,;-.41,-2.35,;-1.75,-1.58,;-1.75,-.04,;-3.08,.73,;-4.41,-.04,;-5.75,.73,;-5.75,2.27,;-7.08,3.04,;-4.41,3.04,;-3.08,2.27,;-3.08,-2.35,;.92,-1.58,;2.26,-2.35,;3.59,-1.58,;3.59,-.04,;4.92,.73,;6.26,-.04,;7.65,1.1,;8.42,3.1,;8.42,4.66,;7.09,3.9,;7.09,2.36,;8.42,1.58,;9.75,2.36,;9.75,3.9,;8.85,.43,;6.25,.45,;2.26,.73,;.92,-.04,)|
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US Patent US9649309 (2017)


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


(Homo sapiens (Human))
BDBM308202
PNG
(US9649309, Compound UNC3027A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(cn1)C(=O)N1CCN(C)CC1 |r,wU:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-6,1.54,;-4.67,.77,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;2,1.54,;.67,.77,;4.67,1.54,;4.67,3.08,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,)|
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US Patent US9649309 (2017)


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


(Homo sapiens (Human))
BDBM308227
PNG
(US9649309, Compound UNC4104A)
Show SMILES CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2CC[C@H](C2)N(C)C)cn1 |r,wD:27.31,(-10.34,-3.85,;-9.01,-3.08,;-7.67,-3.85,;-6.34,-3.08,;-5.01,-3.85,;-3.67,-3.08,;-2.34,-3.85,;-1.01,-3.08,;-1.01,-1.54,;-2.34,-.77,;-2.34,.77,;-3.67,1.54,;-3.67,3.08,;-5.01,3.85,;-6.34,3.08,;-7.67,3.85,;-6.34,1.54,;-5.01,.77,;-3.67,-1.54,;.33,-.77,;1.66,-1.54,;2.99,-.77,;2.99,.77,;4.33,1.54,;5.66,.77,;5.66,-.77,;7.13,-1.25,;8.03,,;7.13,1.25,;9.57,,;10.34,1.33,;10.34,-1.33,;1.66,1.54,;.33,.77,)|
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US Patent US9649309 (2017)


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


(Homo sapiens (Human))
BDBM50055499
PNG
(CHEMBL3326002)
Show SMILES CCCCNc1ncc2c(nn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:12.11,wD:15.15,(-2.75,-7.06,;-1.43,-6.29,;-.1,-7.06,;1.25,-6.3,;2.58,-7.07,;3.91,-6.3,;3.91,-4.75,;5.24,-3.99,;6.57,-4.75,;8.05,-4.27,;8.96,-5.52,;8.05,-6.78,;8.53,-8.25,;10.03,-8.56,;10.5,-10.03,;9.47,-11.17,;9.94,-12.64,;7.96,-10.85,;7.49,-9.39,;6.57,-6.3,;5.24,-7.07,;8.53,-2.8,;10.04,-2.49,;10.51,-1.03,;9.49,.13,;7.98,-.2,;7.5,-1.67,;9.97,1.58,;8.48,1.99,;9.57,3.09,;11.48,1.89,;12.49,.74,;13.99,1.03,;14.49,2.48,;13.47,3.64,;11.96,3.35,)|
Show InChI InChI=1/C25H34N6O4S/c1-2-3-12-26-25-27-17-22-23(29-31(24(22)28-25)19-6-8-20(32)9-7-19)18-4-10-21(11-5-18)36(33,34)30-13-15-35-16-14-30/h4-5,10-11,17,19-20,32H,2-3,6-9,12-16H2,1H3,(H,26,27,28)/t19-,20-
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n/an/a 1.10n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Mer (unknown origin)


J Med Chem 57: 7031-41 (2014)


Article DOI: 10.1021/jm500749d
BindingDB Entry DOI: 10.7270/Q2K075XQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM308366
PNG
(US9649309, Compound UNC4340A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(C=C2CCN(CC2)C(C)C)cn1 |r,wU:11.10,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;5.33,-.77,;6.67,-1.54,;8,-.77,;8,.77,;6.67,1.54,;9.34,-1.54,;10.67,-.77,;9.34,-3.08,;1.33,1.54,;,.77,)|
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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))
BDBM308182
PNG
(US9649309, Compound UNC2422A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCC(F)(F)CC2)cn1 |r,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;10,,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)|
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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))
BDBM50444075
PNG
(CHEMBL3092790)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2CCC(F)(F)CC2)cn1 |r,wU:11.10,wD:14.14,(52.92,-33.3,;54.26,-32.53,;55.59,-33.3,;56.93,-32.54,;58.26,-33.31,;59.59,-32.54,;60.93,-33.31,;62.26,-32.54,;62.26,-30.99,;60.92,-30.22,;60.92,-28.68,;59.58,-27.92,;58.26,-28.69,;56.92,-27.91,;56.92,-26.37,;55.59,-25.6,;58.26,-25.6,;59.58,-26.37,;59.6,-30.99,;63.59,-30.21,;64.92,-30.98,;66.25,-30.21,;66.25,-28.67,;67.58,-27.89,;68.91,-28.65,;68.91,-30.19,;70.24,-30.96,;71.58,-30.19,;72.35,-31.52,;73.12,-30.18,;71.57,-28.64,;70.23,-27.87,;64.9,-27.9,;63.58,-28.68,)|
Show InChI InChI=1S/C25H36F2N6O/c1-2-3-12-28-24-30-16-21(23(32-24)31-19-5-7-20(34)8-6-19)22-9-4-18(15-29-22)17-33-13-10-25(26,27)11-14-33/h4,9,15-16,19-20,34H,2-3,5-8,10-14,17H2,1H3,(H2,28,30,31,32)/t19-,20-
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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
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50055499
PNG
(CHEMBL3326002)
Show SMILES CCCCNc1ncc2c(nn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:12.11,wD:15.15,(-2.75,-7.06,;-1.43,-6.29,;-.1,-7.06,;1.25,-6.3,;2.58,-7.07,;3.91,-6.3,;3.91,-4.75,;5.24,-3.99,;6.57,-4.75,;8.05,-4.27,;8.96,-5.52,;8.05,-6.78,;8.53,-8.25,;10.03,-8.56,;10.5,-10.03,;9.47,-11.17,;9.94,-12.64,;7.96,-10.85,;7.49,-9.39,;6.57,-6.3,;5.24,-7.07,;8.53,-2.8,;10.04,-2.49,;10.51,-1.03,;9.49,.13,;7.98,-.2,;7.5,-1.67,;9.97,1.58,;8.48,1.99,;9.57,3.09,;11.48,1.89,;12.49,.74,;13.99,1.03,;14.49,2.48,;13.47,3.64,;11.96,3.35,)|
Show InChI InChI=1/C25H34N6O4S/c1-2-3-12-26-25-27-17-22-23(29-31(24(22)28-25)19-6-8-20(32)9-7-19)18-4-10-21(11-5-18)36(33,34)30-13-15-35-16-14-30/h4-5,10-11,17,19-20,32H,2-3,6-9,12-16H2,1H3,(H,26,27,28)/t19-,20-
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n/an/a 1.10n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Mer (unknown origin) by Off-chip Mobility Shift Assay


J Med Chem 57: 7031-41 (2014)


Article DOI: 10.1021/jm500749d
BindingDB Entry DOI: 10.7270/Q2K075XQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM308275
PNG
(US9649309, Compound UNC3118A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccnc(N)n1 |r,wU:11.10,wD:14.14,(-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-1.33,3.85,;,3.08,;,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,.77,)|
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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))
BDBM308352
PNG
(US9649309, Compound UNC4168A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2C(C)(C)C2(C)C)cn1 |r,wU:11.10,wD:14.14,(-10.11,-4.13,;-8.77,-3.36,;-7.44,-4.13,;-6.1,-3.36,;-4.77,-4.13,;-3.44,-3.36,;-2.1,-4.13,;-.77,-3.36,;-.77,-1.82,;-2.1,-1.05,;-2.1,.49,;-3.44,1.26,;-4.77,.49,;-6.1,1.26,;-6.1,2.8,;-7.44,3.57,;-4.77,3.57,;-3.44,2.8,;-3.44,-1.82,;.56,-1.05,;1.9,-1.82,;3.23,-1.05,;3.23,.49,;4.56,1.26,;5.9,.49,;7.23,1.26,;8,2.59,;8,4.13,;9.34,3.36,;8.77,1.26,;10.11,.49,;10.11,2.03,;1.9,1.26,;.56,.49,)|
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US Patent US9649309 (2017)


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


(Homo sapiens (Human))
BDBM308191
PNG
(US9649309, Compound UNC2549A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCC)cn1 |r,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;2.67,1.54,;1.33,.77,)|
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US Patent US9649309 (2017)


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


(Homo sapiens (Human))
BDBM308315
PNG
(US9649309, Compound UNC3664A)
Show SMILES CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(cn1)C1(CC1)N1CCOCC1 |(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-5.33,1.54,;-4,.77,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.33,.77,;5.33,1.54,;6.1,2.87,;4.56,2.87,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,)|
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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))
BDBM308267
PNG
(US9649309, Compound UNC3072A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(N)ncn1 |r,wU:11.10,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;6,.77,;4.67,1.54,;3.33,.77,)|
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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))
BDBM308230
PNG
(US9649309, Compound UNC4163A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC3CCC(C2)N3C)cn1 |r,wU:11.10,wD:14.14,THB:24:25:28.29:32,(-10.49,-3.56,;-9.15,-2.79,;-7.82,-3.56,;-6.49,-2.79,;-5.15,-3.56,;-3.82,-2.79,;-2.48,-3.56,;-1.15,-2.79,;-1.15,-1.25,;-2.48,-.48,;-2.48,1.06,;-3.82,1.83,;-5.15,1.06,;-6.49,1.83,;-6.49,3.37,;-7.82,4.14,;-5.15,4.14,;-3.82,3.37,;-3.82,-1.25,;.18,-.48,;1.52,-1.25,;2.85,-.48,;2.85,1.06,;4.18,1.83,;5.52,1.06,;6.85,1.83,;7.66,.62,;9.18,.33,;10.49,1.14,;10.09,-.34,;8.81,-1.2,;7.31,-.85,;9.72,-2.66,;10.12,-4.14,;1.52,1.83,;.18,1.06,)|
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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))
BDBM308339
PNG
(US9649309, Compound UNC4372A)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)[N+]#[C-])ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-5.85,3.85,;-4.52,3.08,;-4.52,1.54,;-3.19,.77,;-1.85,1.54,;-1.85,3.08,;-3.19,3.85,;-.52,.77,;-.52,-.77,;-1.85,-1.54,;-1.85,-3.08,;-3.19,-3.85,;-4.52,-3.08,;-5.85,-3.85,;-7.19,-3.08,;-7.25,-1.46,;-5.85,-.77,;-4.52,-1.54,;-8.57,-.67,;-9.9,.11,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;2.15,-.77,;3.48,-1.54,;4.82,-.77,;4.82,.77,;6.15,1.54,;7.48,.77,;7.48,-.77,;8.95,-1.25,;9.85,,;8.95,1.25,;3.48,1.54,;2.15,.77,)|
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US Patent US9649309 (2017)


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


(Homo sapiens (Human))
BDBM308368
PNG
(US9649309, Compound UNC4356A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)C1=CCN(C)CC1 |r,wU:11.10,wD:14.14,t:28,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.33,.77,;5.33,1.54,;5.33,3.08,;6.67,3.85,;8,3.08,;9.34,3.85,;8,1.54,;6.67,.77,)|
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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))
BDBM308187
PNG
(US9649309, Compound UNC2491A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC2)cn1 |r,wD:14.14,(-9.44,-3.85,;-8.11,-3.08,;-6.77,-3.85,;-5.44,-3.08,;-4.1,-3.85,;-2.77,-3.08,;-1.44,-3.85,;-.1,-3.08,;-.1,-1.54,;-1.44,-.77,;-1.44,.77,;-2.77,1.54,;-4.1,.77,;-5.44,1.54,;-5.44,3.08,;-6.77,3.85,;-4.1,3.85,;-2.77,3.08,;-2.77,-1.54,;1.23,-.77,;2.56,-1.54,;3.9,-.77,;3.9,.77,;5.23,1.54,;6.57,.77,;7.9,1.54,;9.44,1.54,;8.67,2.87,;2.56,1.54,;1.23,.77,)|
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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))
BDBM308334
PNG
(US9649309, Compound UNC4241A)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(F)cc2)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-9.19,-.77,;-6.52,-.77,;-5.19,-1.54,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)|
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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))
BDBM50055490
PNG
(CHEMBL3326007)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn([C@H]3CC[C@H](O)CC3)c3nc(NCCC4CC4)ncc23)CC1 |r,wU:15.15,wD:18.19,(49.98,-3.61,;48.47,-3.91,;47.97,-5.37,;46.47,-5.67,;45.46,-4.51,;43.95,-4.8,;43.47,-6.27,;44.49,-7.42,;44.02,-8.88,;42.51,-9.2,;41.48,-8.06,;41.96,-6.59,;42.03,-10.66,;42.94,-11.92,;42.03,-13.17,;42.5,-14.64,;44.01,-14.96,;44.48,-16.43,;43.45,-17.57,;43.92,-19.04,;41.94,-17.24,;41.47,-15.79,;40.55,-12.69,;39.22,-13.46,;37.89,-12.69,;36.55,-13.46,;35.22,-12.69,;33.89,-13.46,;32.55,-12.69,;31.79,-11.36,;31.02,-12.69,;37.89,-11.15,;39.22,-10.38,;40.55,-11.14,;45.94,-3.05,;47.46,-2.75,)|
Show InChI InChI=1/C29H40N6O/c1-33-14-16-34(17-15-33)19-22-4-6-23(7-5-22)27-20-35(24-8-10-25(36)11-9-24)28-26(27)18-31-29(32-28)30-13-12-21-2-3-21/h4-7,18,20-21,24-25,36H,2-3,8-17,19H2,1H3,(H,30,31,32)/t24-,25-
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n/an/a 1.30n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Mer (unknown origin) by Off-chip Mobility Shift Assay


J Med Chem 57: 7031-41 (2014)


Article DOI: 10.1021/jm500749d
BindingDB Entry DOI: 10.7270/Q2K075XQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM308294
PNG
(US9649309, Compound UNC3192A)
Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NC(C)C)ncn1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;7.34,.77,;4.67,.77,;3.33,1.54,;2,.77,)|
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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))
BDBM50444069
PNG
(CHEMBL3092796)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC2)cn1 |r,wU:11.10,wD:14.14,(20.96,-58.36,;22.3,-57.6,;23.63,-58.37,;24.96,-57.6,;26.3,-58.37,;27.63,-57.6,;28.96,-58.37,;30.3,-57.6,;30.3,-56.05,;28.96,-55.28,;28.96,-53.74,;27.62,-52.98,;26.29,-53.75,;24.96,-52.98,;24.96,-51.43,;23.62,-50.66,;26.29,-50.67,;27.62,-51.43,;27.63,-56.06,;31.63,-55.27,;32.96,-56.04,;34.29,-55.27,;34.28,-53.73,;35.61,-52.95,;36.95,-53.72,;38.28,-52.94,;39.81,-52.93,;39.04,-51.6,;32.94,-52.96,;31.61,-53.74,)|
Show InChI InChI=1S/C23H34N6O/c1-2-3-12-24-23-27-15-20(22(29-23)28-18-7-9-19(30)10-8-18)21-11-4-16(14-26-21)13-25-17-5-6-17/h4,11,14-15,17-19,25,30H,2-3,5-10,12-13H2,1H3,(H2,24,27,28,29)/t18-,19-
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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
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM308197
PNG
(US9649309, Compound UNC2252A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cccc(CN2CCCCC2)n1 |r,wU:11.10,wD:14.14,(-8.67,-5,;-7.34,-4.23,;-6,-5,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-.67,-5,;.67,-4.23,;.67,-2.69,;-.67,-1.93,;-.67,-.38,;-2,.38,;-3.33,-.38,;-4.67,.38,;-4.67,1.93,;-6,2.69,;-3.33,2.69,;-2,1.93,;-2,-2.69,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;3.33,.38,;3.33,1.93,;4.67,2.69,;6,1.93,;7.34,2.69,;7.34,4.23,;6,5,;4.67,4.23,;2,-.38,)|
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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))
BDBM308367
PNG
(US9649309, Compound UNC4354A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)C1=CCNCC1 |r,wU:11.10,wD:14.14,t:28,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;3.33,1.54,;2,.77,;6,1.54,;6,3.08,;7.34,3.85,;8.67,3.08,;8.67,1.54,;7.34,.77,)|
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The University of North Carolina at Chapel Hill

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US Patent US9649309 (2017)


BindingDB Entry DOI: 10.7270/Q26Q209H
More data for this
Ligand-Target Pair
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