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Compile Data Set for Download or QSAR

Found 4084 hits of ic50 data for polymerid = 50003688   
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))
BDBM515773
PNG
(US11053225, Compound 23)
Show SMILES Cn1cc(cn1)-c1cnc(NC23CC4CC(CC(C4)C2)C3)nc1NC1CCCCC1 |TLB:20:11:18:14.15.16,THB:10:11:18:14.15.16,20:15:18:11.19.12,19:11:14:18.17.16,19:17:14:11.20.12|
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n/an/a 0n/an/an/an/an/an/a


TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM515786
PNG
(US11053225, Compound 69)
Show SMILES COc1ccc(cc1OC)-c1cnc(Nc2cccc(Cl)c2)nc1NC1CCN(CC1)C(=O)C(F)(F)F
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n/an/a 0.120n/an/an/an/an/an/a


TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
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))
BDBM515821
PNG
(US11053225, Compound 102)
Show SMILES OCCn1cc(cn1)-c1cnc(Nc2cccc(F)c2)nc1Nc1ccc2CCNCc2c1
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n/an/a 0.360n/an/an/an/an/an/a


TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM350865
PNG
(UNC1667A | US10004755, Compound UNC1667A | US97956...)
Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1 |r,wU:12.11,wD:15.15,(-9.17,-2.68,;-7.84,-1.91,;-6.5,-2.68,;-5.17,-1.91,;-3.84,-2.68,;-2.5,-1.91,;-2.5,-.37,;-1.17,.4,;.16,-.37,;1.63,.1,;2.53,-1.14,;1.63,-2.39,;2.03,-3.88,;3.51,-4.27,;3.91,-5.76,;2.82,-6.85,;3.22,-8.34,;1.34,-6.45,;.94,-4.96,;.16,-1.91,;-1.17,-2.68,;2.03,1.59,;3.51,1.99,;3.91,3.48,;2.82,4.57,;1.34,4.17,;.94,2.68,;3.22,6.05,;1.68,6.05,;3.62,7.54,;4.71,6.45,;5.8,5.36,;7.29,5.76,;7.68,7.25,;9.17,7.65,;6.6,8.34,;5.11,7.94,)|
Show InChI InChI=1S/C27H38N6O3S/c1-3-4-13-28-27-29-18-24-25(19-33(26(24)30-27)21-7-9-22(34)10-8-21)20-5-11-23(12-6-20)37(35,36)32-16-14-31(2)15-17-32/h5-6,11-12,18-19,21-22,34H,3-4,7-10,13-17H2,1-2H3,(H,28,29,30)/t21-,22-
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n/an/a 0.420n/an/an/an/an/an/a



NIH



Assay Description
Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase activity by an active compound as described herein is determined at the Km for ATP using a ...


Bioorg Med Chem 17: 7884-93 (2009)


BindingDB Entry DOI: 10.7270/Q26H4KR2
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,)|
Show InChI InChI=1S/C31H46N6O/c1-2-3-10-33-30-35-19-27(29(37-30)36-25-5-7-26(38)8-6-25)28-9-4-21(18-34-28)17-32-20-31-14-22-11-23(15-31)13-24(12-22)16-31/h4,9,18-19,22-26,32,38H,2-3,5-8,10-17,20H2,1H3,(H2,33,35,36,37)/t22?,23?,24?,25-,26-,31?
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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


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


BindingDB Entry DOI: 10.7270/Q26Q209H
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=1S/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 0.460n/an/an/an/an/an/a



UNC Eshelman School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human MERTK cytoplasmic domain (528 to 999 end residues) expressed in baculovirus expression system using fluorec...


J Med Chem 61: 10242-10254 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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,)|
Show InChI InChI=1S/C26H35N7O/c1-2-3-12-29-26-31-18-23(25(33-26)32-21-5-7-22(34)8-6-21)24-9-4-20(17-30-24)16-28-15-19-10-13-27-14-11-19/h4,9-11,13-14,17-18,21-22,28,34H,2-3,5-8,12,15-16H2,1H3,(H2,29,31,32,33)/t21?,22-
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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


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


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,)|
Show InChI InChI=1S/C24H36N6O/c1-2-3-13-25-24-28-16-21(23(30-24)29-19-8-10-20(31)11-9-19)22-12-7-17(15-27-22)14-26-18-5-4-6-18/h7,12,15-16,18-20,26,31H,2-6,8-11,13-14H2,1H3,(H2,25,28,29,30)/t19?,20-
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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


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


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


(Homo sapiens (Human))
BDBM628988
PNG
(N-{3-fluoro-4-[(2-{[2-(4-methanesulfonylpiperazin-...)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccnc(n4)N4CCN(CC4)S(C)(=O)=O)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a 0.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM350848
PNG
(UNC2078A | US10004755, Compound UNC2078A | US97956...)
Show SMILES CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCCCC1 |r,wU:11.11,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;2.08,4.17,;1.68,2.68,;3.97,6.05,;2.43,6.05,;3.2,7.39,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,)|
Show InChI InChI=1S/C27H37N5O3S/c1-2-3-15-28-27-29-18-24-25(19-32(26(24)30-27)21-9-11-22(33)12-10-21)20-7-13-23(14-8-20)36(34,35)31-16-5-4-6-17-31/h7-8,13-14,18-19,21-22,33H,2-6,9-12,15-17H2,1H3,(H,28,29,30)/t21?,22-
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n/an/a 0.540n/an/an/an/an/an/a



NIH



Assay Description
Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase activity by an active compound as described herein is determined at the Km for ATP using a ...


Bioorg Med Chem 17: 7884-93 (2009)


BindingDB Entry DOI: 10.7270/Q26H4KR2
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,)|
Show InChI InChI=1S/C24H36N6O/c1-2-3-12-26-24-28-16-21(23(30-24)29-19-7-9-20(31)10-8-19)22-11-6-18(15-27-22)14-25-13-17-4-5-17/h6,11,15-17,19-20,25,31H,2-5,7-10,12-14H2,1H3,(H2,26,28,29,30)/t19?,20-
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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


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


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 | US10004755, Compound UNC1669A | US...)
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=1S/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))
BDBM50055498
PNG
(CHEMBL3326004 | US10004755, Compound UNC1669A | US...)
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=1S/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



NIH



Assay Description
Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase activity by an active compound as described herein is determined at the Km for ATP using a ...


Bioorg Med Chem 17: 7884-93 (2009)


BindingDB Entry DOI: 10.7270/Q26H4KR2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM628989
PNG
(N-{3-fluoro-4-[(2-{[2-(pyrrolidin-1-yl)pyrimidin-4...)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccnc(n4)N4CCCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a 0.600n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50469353
PNG
(CHEMBL4283353)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)|
Show InChI InChI=1S/C30H44N6O/c1-4-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-16-5-15-34(3)17-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



UNC Eshelman School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human MERTK cytoplasmic domain (528 to 999 end residues) expressed in baculovirus expression system using fluorec...


J Med Chem 61: 10242-10254 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50469353
PNG
(CHEMBL4283353)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)|
Show InChI InChI=1S/C30H44N6O/c1-4-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-16-5-15-34(3)17-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged MERTK (528 to 999 residues) (unknown origin) cytoplasmic domain expressed in Sf21 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113534
BindingDB Entry DOI: 10.7270/Q2M90DGJ
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,)|
Show InChI InChI=1S/C28H42N6O2/c1-2-3-14-29-27-31-20-24(26(33-27)32-22-7-9-23(35)10-8-22)25-11-6-21(19-30-25)28(12-4-5-13-28)34-15-17-36-18-16-34/h6,11,19-20,22-23,35H,2-5,7-10,12-18H2,1H3,(H2,29,31,32,33)
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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


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


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,)|
Show InChI InChI=1S/C25H38N6O/c1-2-3-14-26-25-29-17-22(24(31-25)30-20-9-11-21(32)12-10-20)23-13-8-18(16-28-23)15-27-19-6-4-5-7-19/h8,13,16-17,19-21,27,32H,2-7,9-12,14-15H2,1H3,(H2,26,29,30,31)/t20?,21-
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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


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


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,)|
Show InChI InChI=1S/C24H38N6O/c1-5-6-13-25-23-27-16-20(22(30-23)29-18-8-10-19(31)11-9-18)21-12-7-17(14-26-21)15-28-24(2,3)4/h7,12,14,16,18-19,28,31H,5-6,8-11,13,15H2,1-4H3,(H2,25,27,29,30)/t18-,19-
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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


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


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,)|
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



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


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))
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,)|
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



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


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))
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))
BDBM350844
PNG
(UNC1972A | US10004755, Compound UNC1972A | US97956...)
Show SMILES CCCCNc1ncc2c(cn(C3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:11.11,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;2.08,4.17,;1.68,2.68,;3.97,6.05,;2.48,6.45,;3.57,7.54,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,)|
Show InChI InChI=1S/C26H36N6O3S/c1-2-3-12-28-26-29-17-23-24(18-32(25(23)30-26)21-8-6-20(27)7-9-21)19-4-10-22(11-5-19)36(33,34)31-13-15-35-16-14-31/h4-5,10-11,17-18,20-21H,2-3,6-9,12-16,27H2,1H3,(H,28,29,30)/t20-,21?
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n/an/a 0.720n/an/an/an/an/an/a



NIH



Assay Description
Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase activity by an active compound as described herein is determined at the Km for ATP using a ...


Bioorg Med Chem 17: 7884-93 (2009)


BindingDB Entry DOI: 10.7270/Q26H4KR2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM350843
PNG
(UNC1971A | US10004755, Compound UNC1971A | US97956...)
Show SMILES CCCCNc1ncc2c(cn(C3CC[C@H](N)CC3)c2n1)-c1ccc(c(F)c1)S(=O)(=O)N1CCOCC1 |r,wU:11.11,wD:15.15,(-8.43,-2.68,;-7.1,-1.91,;-5.76,-2.68,;-4.43,-1.91,;-3.09,-2.68,;-1.76,-1.91,;-1.76,-.37,;-.43,.4,;.91,-.37,;2.37,.1,;3.28,-1.14,;2.37,-2.39,;2.77,-3.88,;4.26,-4.27,;4.66,-5.76,;3.57,-6.85,;3.97,-8.34,;2.08,-6.45,;1.68,-4.96,;.91,-1.91,;-.43,-2.68,;2.77,1.59,;4.26,1.99,;4.66,3.48,;3.57,4.57,;2.08,4.17,;.99,5.26,;1.68,2.68,;3.97,6.05,;2.48,6.45,;3.57,7.54,;5.45,6.45,;6.54,5.36,;8.03,5.76,;8.43,7.25,;7.34,8.34,;5.85,7.94,)|
Show InChI InChI=1S/C26H35FN6O3S/c1-2-3-10-29-26-30-16-21-22(17-33(25(21)31-26)20-7-5-19(28)6-8-20)18-4-9-24(23(27)15-18)37(34,35)32-11-13-36-14-12-32/h4,9,15-17,19-20H,2-3,5-8,10-14,28H2,1H3,(H,29,30,31)/t19-,20?
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n/an/a 0.730n/an/an/an/an/an/a



NIH



Assay Description
Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase activity by an active compound as described herein is determined at the Km for ATP using a ...


Bioorg Med Chem 17: 7884-93 (2009)


BindingDB Entry DOI: 10.7270/Q26H4KR2
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=1S/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
3D
3D Structure (crystal)
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,)|
Show InChI InChI=1S/C27H36N6O/c1-2-3-15-29-27-31-19-24(26(33-27)32-22-10-12-23(34)13-11-22)25-14-9-21(18-30-25)17-28-16-20-7-5-4-6-8-20/h4-9,14,18-19,22-23,28,34H,2-3,10-13,15-17H2,1H3,(H2,29,31,32,33)/t22?,23-
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US Patent
n/an/a 0.760n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


BindingDB Entry DOI: 10.7270/Q26Q209H
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))
BDBM497267
PNG
((2,6-dimethylpyridin-4- yl)(4-(7-((1R,4S)-4- hydro...)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.12,wD:3.3,16.16,(-8.93,-2.23,;-7.59,-1.46,;-6.26,-2.23,;-4.93,-1.46,;-4.93,.08,;-3.59,-2.23,;-2.26,-1.46,;-2.26,.08,;-.93,.85,;.41,.08,;1.87,.56,;2.78,-.69,;1.87,-1.94,;2.35,-3.4,;3.85,-3.72,;4.33,-5.19,;3.3,-6.33,;3.78,-7.79,;1.79,-6.01,;1.32,-4.55,;.41,-1.46,;-.93,-2.23,;2.35,2.02,;3.85,2.34,;4.33,3.81,;3.3,4.95,;1.79,4.63,;1.32,3.16,;3.78,6.41,;3.04,7.77,;5.26,6.02,;6.35,7.1,;7.84,6.71,;8.93,7.79,;8.24,5.22,;7.15,4.13,;7.55,2.64,;5.66,4.53,)|
Show InChI InChI=1S/C30H42N6O2/c1-5-6-19(2)33-30-31-17-26-27(18-36(28(26)34-30)24-7-9-25(37)10-8-24)22-11-13-35(14-12-22)29(38)23-15-20(3)32-21(4)16-23/h15-19,22,24-25,37H,5-14H2,1-4H3,(H,31,33,34)/t19-,24-,25-/m0/s1
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n/an/a 0.770n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged MERTK (528 to 999 residues) (unknown origin) cytoplasmic domain expressed in Sf21 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113534
BindingDB Entry DOI: 10.7270/Q2M90DGJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM515836
PNG
(US11053225, Compound 137)
Show SMILES Cn1cc(cn1)-c1cnc(Nc2cc(F)cc(F)c2)nc1Nc1ccc2CCNCc2c1
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n/an/a 0.780n/an/an/an/an/an/a


TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50563635
PNG
(CHEMBL4777640)
Show SMILES COc1cc2c(Nc3cnc(OCCCC4CCCC4)nc3)ncnc2cc1OCCCN1CCCCC1
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n/an/a 0.794n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 6His/thrombin cleavage site-fused Avi-tagged dephosphorylated MER (unknown origin) (R528 to M999 residues) using Axltide (CKKSRGDYMTMQJ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01904
BindingDB Entry DOI: 10.7270/Q2XP78NC
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|
Show InChI InChI=1S/C32H48N8O/c1-38-18-20-39(21-19-38)23-25-11-13-26(14-12-25)28-24-40-17-9-6-10-29(33)31(41)34-15-7-4-2-3-5-8-16-35-32-36-22-27(28)30(40)37-32/h11-14,22,24,29H,2-10,15-21,23,33H2,1H3,(H,34,41)(H,35,36,37)/t29-/m0/s1
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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))
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,)|
Show InChI InChI=1S/C27H40N6O/c1-2-3-15-28-27-30-17-24(26(32-27)31-20-8-12-23(34)13-9-20)25-14-7-19(16-29-25)18-33-21-5-4-6-22(33)11-10-21/h7,14,16-17,20-23,34H,2-6,8-13,15,18H2,1H3,(H2,28,30,31,32)/t20-,21?,22?,23-
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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


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


BindingDB Entry DOI: 10.7270/Q26Q209H
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,)|
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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n/an/a 0.810n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


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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n/an/a 0.810n/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))
BDBM515783
PNG
(US11053225, Compound 65)
Show SMILES COc1ccccc1Nc1ncc(c(NC2CCN(CC2)C(=O)C(F)(F)F)n1)-c1ccc(OC)c(OC)c1
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n/an/a 0.820n/an/an/an/an/an/a


TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
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,)|
Show InChI InChI=1S/C24H38N6O/c1-4-7-14-25-24-27-16-21(23(29-24)28-19-9-11-20(31)12-10-19)22-13-8-18(15-26-22)17-30(5-2)6-3/h8,13,15-16,19-20,31H,4-7,9-12,14,17H2,1-3H3,(H2,25,27,28,29)/t19-,20-
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n/an/a 0.830n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


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,)|
Show InChI InChI=1S/C25H39N7O/c1-3-4-11-26-25-28-17-22(24(30-25)29-20-6-8-21(33)9-7-20)23-10-5-19(16-27-23)18-32-14-12-31(2)13-15-32/h5,10,16-17,20-21,33H,3-4,6-9,11-15,18H2,1-2H3,(H2,26,28,29,30)/t20?,21-
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n/an/a 0.840n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


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,)|
Show InChI InChI=1S/C26H38N6O/c1-2-3-14-27-26-29-16-23(25(31-26)30-19-5-11-22(33)12-6-19)24-13-4-18(15-28-24)17-32-20-7-8-21(32)10-9-20/h4,13,15-16,19-22,33H,2-3,5-12,14,17H2,1H3,(H2,27,29,30,31)/t19-,20?,21?,22-
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n/an/a 0.860n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


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


(Homo sapiens (Human))
BDBM350851
PNG
(UNC2123A | US10004755, Compound UNC2123A | US97956...)
Show SMILES N[C@H]1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cnc(NCCC3CC3)nc12 |r,wU:7.7,wD:1.0,(5.85,-7.2,;5.45,-5.71,;6.54,-4.62,;6.14,-3.13,;4.66,-2.73,;3.57,-3.82,;3.97,-5.31,;4.26,-1.25,;5.16,,;4.26,1.25,;4.66,2.73,;6.14,3.13,;6.54,4.62,;5.45,5.71,;5.85,7.2,;3.97,5.31,;3.57,3.82,;2.79,.77,;1.46,1.54,;.13,.77,;.13,-.77,;-1.21,-1.54,;-2.54,-.77,;-3.88,-1.54,;-5.21,-.77,;-6.54,,;-6.54,-1.54,;1.46,-1.54,;2.79,-.77,)|
Show InChI InChI=1S/C23H28FN5/c24-17-5-3-16(4-6-17)21-14-29(19-9-7-18(25)8-10-19)22-20(21)13-27-23(28-22)26-12-11-15-1-2-15/h3-6,13-15,18-19H,1-2,7-12,25H2,(H,26,27,28)/t18-,19?
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n/an/a 0.890n/an/an/an/an/an/a



NIH



Assay Description
Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase activity by an active compound as described herein is determined at the Km for ATP using a ...


Bioorg Med Chem 17: 7884-93 (2009)


BindingDB Entry DOI: 10.7270/Q26H4KR2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM515806
PNG
(US11053225, Compound 115)
Show SMILES OCCn1cc(cn1)-c1cnc(Nc2cc(F)cc(F)c2)nc1NC1CC[C@@H](CC1)NC(=O)C(F)(F)F |r,wD:27.33,(3.3,-10.38,;4.21,-9.13,;3.58,-7.72,;4.49,-6.48,;4.01,-5.01,;5.26,-4.11,;6.5,-5.01,;6.03,-6.48,;5.26,-2.57,;6.59,-1.8,;6.59,-.26,;5.26,.51,;5.26,2.05,;3.92,2.82,;2.59,2.05,;1.26,2.82,;-.08,2.05,;1.26,4.36,;2.59,5.13,;2.59,6.67,;3.92,4.36,;3.92,-.26,;3.92,-1.8,;2.59,-2.57,;1.26,-1.8,;-.08,-2.57,;-1.41,-1.8,;-1.41,-.26,;-.08,.51,;1.26,-.26,;-2.74,.51,;-2.74,2.05,;-1.41,2.82,;-4.08,2.82,;-5.41,3.59,;-3.31,4.16,;-4.85,1.49,)|
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM497267
PNG
((2,6-dimethylpyridin-4- yl)(4-(7-((1R,4S)-4- hydro...)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.12,wD:3.3,16.16,(-8.93,-2.23,;-7.59,-1.46,;-6.26,-2.23,;-4.93,-1.46,;-4.93,.08,;-3.59,-2.23,;-2.26,-1.46,;-2.26,.08,;-.93,.85,;.41,.08,;1.87,.56,;2.78,-.69,;1.87,-1.94,;2.35,-3.4,;3.85,-3.72,;4.33,-5.19,;3.3,-6.33,;3.78,-7.79,;1.79,-6.01,;1.32,-4.55,;.41,-1.46,;-.93,-2.23,;2.35,2.02,;3.85,2.34,;4.33,3.81,;3.3,4.95,;1.79,4.63,;1.32,3.16,;3.78,6.41,;3.04,7.77,;5.26,6.02,;6.35,7.1,;7.84,6.71,;8.93,7.79,;8.24,5.22,;7.15,4.13,;7.55,2.64,;5.66,4.53,)|
Show InChI InChI=1S/C30H42N6O2/c1-5-6-19(2)33-30-31-17-26-27(18-36(28(26)34-30)24-7-9-25(37)10-8-24)22-11-13-35(14-12-22)29(38)23-15-20(3)32-21(4)16-23/h15-19,22,24-25,37H,5-14H2,1-4H3,(H,31,33,34)/t19-,24-,25-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MERTK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113534
BindingDB Entry DOI: 10.7270/Q2M90DGJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM497276
PNG
((2,6-dimethylpyridin-4- yl)(4-(2-(((1S,2S)-2- ethy...)
Show SMILES CC[C@H]1C[C@@H]1Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.13,2.1,wD:4.5,16.17,(-8.36,-3.77,;-8.36,-2.23,;-7.03,-1.46,;-6.26,-.13,;-5.49,-1.46,;-4.16,-2.23,;-2.82,-1.46,;-2.82,.08,;-1.49,.85,;-.16,.08,;1.31,.56,;2.21,-.69,;1.31,-1.94,;1.78,-3.4,;3.29,-3.72,;3.77,-5.19,;2.74,-6.33,;3.21,-7.79,;1.23,-6.01,;.75,-4.55,;-.16,-1.46,;-1.49,-2.23,;1.78,2.02,;3.29,2.34,;3.77,3.81,;2.74,4.95,;1.23,4.63,;.75,3.16,;3.21,6.41,;2.48,7.77,;4.7,6.02,;5.79,7.1,;7.28,6.71,;8.36,7.79,;7.67,5.22,;6.59,4.13,;6.98,2.64,;5.1,4.53,)|
Show InChI InChI=1S/C30H40N6O2/c1-4-20-15-27(20)33-30-31-16-25-26(17-36(28(25)34-30)23-5-7-24(37)8-6-23)21-9-11-35(12-10-21)29(38)22-13-18(2)32-19(3)14-22/h13-14,16-17,20-21,23-24,27,37H,4-12,15H2,1-3H3,(H,31,33,34)/t20-,23-,24-,27-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MERTK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113534
BindingDB Entry DOI: 10.7270/Q2M90DGJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM515798
PNG
(US11053225, Compound 100)
Show SMILES OCCn1cc(cn1)-c1cnc(Nc2cccc(Cl)c2)nc1N[C@@H]1CC[C@@H](CC1)NC(=O)C(F)(F)F |r,wD:23.25,26.32,(1.73,-9.37,;.83,-8.12,;1.45,-6.72,;.55,-5.47,;1.02,-4.01,;-.22,-3.1,;-1.47,-4.01,;-.99,-5.47,;-.22,-1.56,;-1.56,-.79,;-1.56,.75,;-.22,1.52,;-.22,3.06,;-1.56,3.83,;-1.56,5.37,;-2.89,6.14,;-4.22,5.37,;-4.22,3.83,;-5.56,3.06,;-2.89,3.06,;1.11,.75,;1.11,-.79,;2.45,-1.56,;3.78,-.79,;3.78,.75,;5.11,1.52,;6.45,.75,;6.45,-.79,;5.11,-1.56,;7.78,1.52,;9.11,.75,;9.11,-.79,;10.45,1.52,;11.78,2.29,;11.22,.19,;9.68,2.85,)|
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n/an/a 0.910n/an/an/an/an/an/a


TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM350850
PNG
(UNC2095A | US10004755, Compound UNC2095A | US97956...)
Show SMILES CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCC(F)(F)CC1 |r,wU:11.11,wD:15.15,(-9.17,-2.68,;-7.84,-1.91,;-6.5,-2.68,;-5.17,-1.91,;-3.84,-2.68,;-2.5,-1.91,;-2.5,-.37,;-1.17,.4,;.16,-.37,;1.63,.1,;2.53,-1.14,;1.63,-2.39,;2.03,-3.88,;3.51,-4.27,;3.91,-5.76,;2.82,-6.85,;3.22,-8.34,;1.34,-6.45,;.94,-4.96,;.16,-1.91,;-1.17,-2.68,;2.03,1.59,;3.51,1.99,;3.91,3.48,;2.82,4.57,;1.34,4.17,;.94,2.68,;3.22,6.05,;1.68,6.05,;2.45,7.39,;4.71,6.45,;5.8,5.36,;7.29,5.76,;7.68,7.25,;9.17,6.85,;8.77,8.34,;6.6,8.34,;5.11,7.94,)|
Show InChI InChI=1S/C27H35F2N5O3S/c1-2-3-14-30-26-31-17-23-24(18-34(25(23)32-26)20-6-8-21(35)9-7-20)19-4-10-22(11-5-19)38(36,37)33-15-12-27(28,29)13-16-33/h4-5,10-11,17-18,20-21,35H,2-3,6-9,12-16H2,1H3,(H,30,31,32)/t20?,21-
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n/an/a 0.920n/an/an/an/an/an/a



NIH



Assay Description
Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase activity by an active compound as described herein is determined at the Km for ATP using a ...


Bioorg Med Chem 17: 7884-93 (2009)


BindingDB Entry DOI: 10.7270/Q26H4KR2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM401001
PNG
(US10004755, Compound UNC2396A)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn(C3CC[C@H](O)CC3)c3nc(NCCCCO)ncc23)CC1 |r,wD:18.19,(9.84,7.65,;8.35,7.25,;7.95,5.76,;6.47,5.36,;5.38,6.45,;3.89,6.05,;3.49,4.57,;4.58,3.48,;4.18,1.99,;2.69,1.59,;1.6,2.68,;2,4.17,;2.29,.1,;3.2,-1.14,;2.29,-2.39,;2.69,-3.88,;4.18,-4.27,;4.58,-5.76,;3.49,-6.85,;3.89,-8.34,;2,-6.45,;1.6,-4.96,;.83,-1.91,;-.5,-2.68,;-1.84,-1.91,;-3.17,-2.68,;-4.5,-1.91,;-5.84,-2.68,;-7.17,-1.91,;-8.51,-2.68,;-9.84,-1.91,;-1.84,-.37,;-.5,.4,;.83,-.37,;5.78,7.94,;7.26,8.34,)|
Show InChI InChI=1S/C28H40N6O2/c1-32-13-15-33(16-14-32)19-21-4-6-22(7-5-21)26-20-34(23-8-10-24(36)11-9-23)27-25(26)18-30-28(31-27)29-12-2-3-17-35/h4-7,18,20,23-24,35-36H,2-3,8-17,19H2,1H3,(H,29,30,31)/t23?,24-
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NIH



Assay Description
Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase activity by an active compound as described herein is determined at the Km for ATP using a ...


Bioorg Med Chem 17: 7884-93 (2009)


BindingDB Entry DOI: 10.7270/Q26H4KR2
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,)|
Show InChI InChI=1S/C27H40N6O2/c1-2-3-13-28-26-30-19-23(25(32-26)31-21-6-8-22(34)9-7-21)24-10-5-20(18-29-24)27(11-4-12-27)33-14-16-35-17-15-33/h5,10,18-19,21-22,34H,2-4,6-9,11-17H2,1H3,(H2,28,30,31,32)
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n/an/a 0.940n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


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