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BDBM350850 UNC2095A::US10004755, Compound UNC2095A::US9795606, B9

SMILES: CCCCNc1ncc2c(cn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCC(F)(F)CC1

InChI Key: InChIKey=FEXRSRXFBIRFMY-UPDYAAQLSA-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 = 350850   
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))
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<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 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
Receptor-type tyrosine-protein kinase FLT3


(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 1.30n/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 TYRO3


(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 61n/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))
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 152n/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