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BDBM350851 UNC2123A::US10004755, Compound UNC2123A::US9795606, B10

SMILES: N[C@H]1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cnc(NCCC3CC3)nc12

InChI Key: InChIKey=QEVGJXHJXPXEJA-NZANSXMDSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 350851   
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))
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<250n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
The ectopic expression of Mer receptor tyrosine kinase (Mer) has been identified as a tumor cell survival gene product in Acute Lymphoblastic Leukemi...


US Patent US9795606 (2017)


BindingDB Entry DOI: 10.7270/Q2FB553D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(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 28n/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
Receptor-type tyrosine-protein kinase FLT3


(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 1n/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 receptor UFO


(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 94n/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))
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