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Patent code US9120785

Compile Data Set for Download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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 SYK


(Homo sapiens (Human))		BDBM177763
PNG
(US9120785, Example 10 | US9120785, Example 11)
Show SMILES Cc1cc(Nc2cc(C)c(F)cn2)nc(c1)-c1cnc(s1)C(C)(O)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:27.33,wD:24.26,(4.68,-7.21,;3.34,-6.44,;2.01,-7.21,;.68,-6.44,;-.66,-7.21,;-1.99,-6.44,;-1.99,-4.9,;-3.33,-4.13,;-3.33,-2.59,;-4.66,-4.9,;-5.99,-4.13,;-4.66,-6.44,;-3.33,-7.21,;.68,-4.9,;2.01,-4.13,;3.34,-4.9,;2.01,-2.59,;3.25,-1.68,;2.78,-.22,;1.24,-.22,;.76,-1.68,;.47,1.12,;-.86,1.89,;-.86,.35,;1.24,2.45,;2.73,2.05,;3.82,3.14,;3.42,4.63,;1.93,5.03,;.84,3.94,;4.51,5.72,;5.99,5.32,;4.11,7.21,)|
Show InChI InChI=1S/C24H27FN4O3S/c1-13-8-18(28-21(9-13)29-20-10-14(2)17(25)11-26-20)19-12-27-23(33-19)24(3,32)16-6-4-15(5-7-16)22(30)31/h8-12,15-16,32H,4-7H2,1-3H3,(H,30,31)(H,26,28,29)/t15-,16-,24?
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n/an/a 0.100n/an/an/an/a7.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Homogeneous Time-Resolved Fluorescence (HTRF) assay for the recombinant human Syk enzyme: A recombinant GST-hSyk fusion protein was used to measure p...

US Patent US9120785 (2015)


BindingDB Entry DOI: 10.7270/Q2959G9C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM177768
PNG
(US9120785, Example 14-14)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)C(C)(O)C1CCC(C1)C(O)=O
Show InChI InChI=1S/C23H23F3N4O3S/c1-12-7-16(29-19(8-12)30-18-10-15(5-6-27-18)23(24,25)26)17-11-28-21(34-17)22(2,33)14-4-3-13(9-14)20(31)32/h5-8,10-11,13-14,33H,3-4,9H2,1-2H3,(H,31,32)(H,27,29,30)
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n/an/a 0.5n/an/an/an/a7.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Homogeneous Time-Resolved Fluorescence (HTRF) assay for the recombinant human Syk enzyme: A recombinant GST-hSyk fusion protein was used to measure p...

US Patent US9120785 (2015)


BindingDB Entry DOI: 10.7270/Q2959G9C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM177765
PNG
(US9120785, Example 14 Step 2)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)C(C)(O)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:29.35,wD:26.28,(1.87,-4.83,;.54,-4.06,;-.8,-4.83,;-2.13,-4.06,;-3.47,-4.83,;-4.8,-4.06,;-4.8,-2.52,;-6.13,-1.69,;-7.47,-2.52,;-7.47,-4.06,;-6.13,-4.83,;-6.13,-.15,;-6.13,1.39,;-4.59,-.15,;-7.67,-.15,;-2.13,-2.52,;-.8,-1.75,;.54,-2.52,;-.8,-.21,;-2.04,.7,;-1.57,2.16,;-.03,2.16,;.45,.7,;.74,3.49,;-.03,4.83,;1.51,4.83,;2.28,3.49,;3.05,2.16,;4.59,2.16,;5.36,3.49,;4.59,4.83,;3.05,4.83,;6.9,3.49,;7.67,2.16,;7.67,4.83,)|
Show InChI InChI=1S/C24H25F3N4O3S/c1-13-9-17(30-20(10-13)31-19-11-16(7-8-28-19)24(25,26)27)18-12-29-22(35-18)23(2,34)15-5-3-14(4-6-15)21(32)33/h7-12,14-15,34H,3-6H2,1-2H3,(H,32,33)(H,28,30,31)/t14-,15-,23?
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n/an/a 0.5n/an/an/an/a7.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Homogeneous Time-Resolved Fluorescence (HTRF) assay for the recombinant human Syk enzyme: A recombinant GST-hSyk fusion protein was used to measure p...

US Patent US9120785 (2015)


BindingDB Entry DOI: 10.7270/Q2959G9C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM177769
PNG
(US9120785, Example 14-15)
Show SMILES CCC(O)(C1CCC(CC1)C(O)=O)c1ncc(s1)-c1cc(C)cc(Nc2cc(ccn2)C(F)(F)F)n1 |(-6.13,,;-4.8,.77,;-3.47,,;-2.7,1.33,;-1.93,,;-1.15,-1.33,;.38,-1.33,;1.21,,;.38,1.33,;-1.15,1.33,;2.75,0,;3.52,-1.33,;3.52,1.33,;-4.24,-1.33,;-5.78,-1.33,;-6.25,-2.8,;-5.01,-3.7,;-3.76,-2.8,;-5.01,-5.24,;-3.67,-6.01,;-3.67,-7.55,;-2.34,-8.32,;-5.01,-8.32,;-6.34,-7.55,;-7.67,-8.32,;-9.01,-7.55,;-9.01,-6.01,;-10.34,-5.19,;-11.67,-6.01,;-11.67,-7.55,;-10.34,-8.32,;-10.34,-3.65,;-11.67,-2.88,;-10.34,-2.11,;-9.01,-2.88,;-6.34,-6.01,)|
Show InChI InChI=1S/C25H27F3N4O3S/c1-3-24(35,16-6-4-15(5-7-16)22(33)34)23-30-13-19(36-23)18-10-14(2)11-21(31-18)32-20-12-17(8-9-29-20)25(26,27)28/h8-13,15-16,35H,3-7H2,1-2H3,(H,33,34)(H,29,31,32)
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n/an/a 0.5n/an/an/an/a7.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Homogeneous Time-Resolved Fluorescence (HTRF) assay for the recombinant human Syk enzyme: A recombinant GST-hSyk fusion protein was used to measure p...

US Patent US9120785 (2015)


BindingDB Entry DOI: 10.7270/Q2959G9C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM177763
PNG
(US9120785, Example 10 | US9120785, Example 11)
Show SMILES Cc1cc(Nc2cc(C)c(F)cn2)nc(c1)-c1cnc(s1)C(C)(O)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:27.33,wD:24.26,(4.68,-7.21,;3.34,-6.44,;2.01,-7.21,;.68,-6.44,;-.66,-7.21,;-1.99,-6.44,;-1.99,-4.9,;-3.33,-4.13,;-3.33,-2.59,;-4.66,-4.9,;-5.99,-4.13,;-4.66,-6.44,;-3.33,-7.21,;.68,-4.9,;2.01,-4.13,;3.34,-4.9,;2.01,-2.59,;3.25,-1.68,;2.78,-.22,;1.24,-.22,;.76,-1.68,;.47,1.12,;-.86,1.89,;-.86,.35,;1.24,2.45,;2.73,2.05,;3.82,3.14,;3.42,4.63,;1.93,5.03,;.84,3.94,;4.51,5.72,;5.99,5.32,;4.11,7.21,)|
Show InChI InChI=1S/C24H27FN4O3S/c1-13-8-18(28-21(9-13)29-20-10-14(2)17(25)11-26-20)19-12-27-23(33-19)24(3,32)16-6-4-15(5-7-16)22(30)31/h8-12,15-16,32H,4-7H2,1-3H3,(H,30,31)(H,26,28,29)/t15-,16-,24?
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n/an/a 0.5n/an/an/an/a7.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Homogeneous Time-Resolved Fluorescence (HTRF) assay for the recombinant human Syk enzyme: A recombinant GST-hSyk fusion protein was used to measure p...

US Patent US9120785 (2015)


BindingDB Entry DOI: 10.7270/Q2959G9C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM177767
PNG
(US9120785, Example 14-4)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1cnc(s1)C(C)(O)C1CCC(CC1)C(O)=O |(-2.34,-8.32,;-3.67,-7.55,;-5.01,-8.32,;-6.34,-7.55,;-7.67,-8.32,;-9.01,-7.55,;-9.01,-6.01,;-10.34,-5.19,;-11.67,-6.01,;-11.67,-7.55,;-10.34,-8.32,;-10.34,-3.65,;-11.67,-2.88,;-9.01,-2.88,;-6.34,-6.01,;-5.01,-5.24,;-3.67,-6.01,;-5.01,-3.7,;-6.25,-2.8,;-5.78,-1.33,;-4.24,-1.33,;-3.76,-2.8,;-3.47,,;-4.55,1.09,;-2.7,1.33,;-1.93,,;-1.15,-1.33,;.38,-1.33,;1.21,,;.38,1.33,;-1.15,1.33,;2.75,0,;3.52,-1.33,;3.52,1.33,)|
Show InChI InChI=1S/C24H26F2N4O3S/c1-13-9-17(29-20(10-13)30-19-11-15(21(25)26)7-8-27-19)18-12-28-23(34-18)24(2,33)16-5-3-14(4-6-16)22(31)32/h7-12,14,16,21,33H,3-6H2,1-2H3,(H,31,32)(H,27,29,30)
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n/an/a 0.5n/an/an/an/a7.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Homogeneous Time-Resolved Fluorescence (HTRF) assay for the recombinant human Syk enzyme: A recombinant GST-hSyk fusion protein was used to measure p...

US Patent US9120785 (2015)


BindingDB Entry DOI: 10.7270/Q2959G9C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM177770
PNG
(US9120785, Example 14-28)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)C(C)(O)C1CCC(CC1)C(O)=O |(-2.34,-8.32,;-3.67,-7.55,;-5.01,-8.32,;-6.34,-7.55,;-7.67,-8.32,;-9.01,-7.55,;-9.01,-6.01,;-10.34,-5.19,;-11.67,-6.01,;-11.67,-7.55,;-10.34,-8.32,;-10.34,-3.65,;-11.67,-2.88,;-10.34,-2.11,;-9.01,-2.88,;-6.34,-6.01,;-5.01,-5.24,;-3.67,-6.01,;-5.01,-3.7,;-6.25,-2.8,;-5.78,-1.33,;-4.24,-1.33,;-3.76,-2.8,;-3.47,,;-4.55,1.09,;-2.7,1.33,;-1.93,,;-1.15,-1.33,;.38,-1.33,;1.21,,;.38,1.33,;-1.15,1.33,;2.75,0,;3.52,-1.33,;3.52,1.33,)|
Show InChI InChI=1S/C24H25F3N4O3S/c1-13-9-17(30-20(10-13)31-19-11-16(7-8-28-19)24(25,26)27)18-12-29-22(35-18)23(2,34)15-5-3-14(4-6-15)21(32)33/h7-12,14-15,34H,3-6H2,1-2H3,(H,32,33)(H,28,30,31)
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n/an/a 1.10n/an/an/an/a7.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Homogeneous Time-Resolved Fluorescence (HTRF) assay for the recombinant human Syk enzyme: A recombinant GST-hSyk fusion protein was used to measure p...

US Patent US9120785 (2015)


BindingDB Entry DOI: 10.7270/Q2959G9C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM177760
PNG
(US9120785, Example 1 Enantiomer 1)
Show SMILES CCC(O)([C@H]1CC[C@@H](CC1)C(O)=O)c1ncc(s1)-c1cc(C)cc(Nc2cc(ccn2)C2CC2)n1 |r,wU:7.10,wD:4.3,(1.97,13.6,;1.97,15.14,;.64,15.91,;1.41,17.25,;2.18,15.91,;2.95,14.58,;4.49,14.58,;5.31,15.91,;4.49,17.25,;2.95,17.25,;6.85,15.91,;7.62,14.58,;7.62,17.25,;-.13,14.58,;-1.67,14.58,;-2.15,13.11,;-.9,12.21,;.35,13.11,;-.9,10.67,;.43,9.9,;.48,8.33,;1.81,7.56,;-.9,7.59,;-2.23,8.36,;-3.57,7.59,;-4.9,8.36,;-4.9,9.9,;-6.24,10.67,;-7.57,9.9,;-7.57,8.36,;-6.24,7.59,;-6.24,12.21,;-5.47,13.54,;-7.01,13.54,;-2.23,9.9,)|
Show InChI InChI=1S/C27H32N4O3S/c1-3-27(34,20-8-6-18(7-9-20)25(32)33)26-29-15-22(35-26)21-12-16(2)13-24(30-21)31-23-14-19(10-11-28-23)17-4-5-17/h10-15,17-18,20,34H,3-9H2,1-2H3,(H,32,33)(H,28,30,31)/t18-,20-,27?
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n/an/a 2.90n/an/an/an/a7.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Homogeneous Time-Resolved Fluorescence (HTRF) assay for the recombinant human Syk enzyme: A recombinant GST-hSyk fusion protein was used to measure p...

US Patent US9120785 (2015)


BindingDB Entry DOI: 10.7270/Q2959G9C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM177761
PNG
(US9120785, Example 2 racemic mixture)
Show SMILES CCC(O)([C@H]1CC[C@@H](CC1)C(N)=O)c1ncc(s1)-c1cc(C)cc(Nc2cc(ccn2)C2CC2)n1 |r,wU:7.10,wD:4.3,(1.97,13.6,;1.97,15.14,;.64,15.91,;1.41,17.25,;2.18,15.91,;2.95,14.58,;4.49,14.58,;5.26,15.91,;4.49,17.25,;2.95,17.25,;6.8,15.91,;7.57,14.58,;7.57,17.25,;-.13,14.58,;-1.67,14.58,;-2.15,13.11,;-.9,12.21,;.35,13.11,;-.9,10.67,;.43,9.9,;.48,8.33,;1.81,7.56,;-.9,7.59,;-2.23,8.36,;-3.57,7.59,;-4.9,8.36,;-4.9,9.9,;-6.24,10.67,;-7.57,9.9,;-7.57,8.36,;-6.24,7.59,;-6.24,12.21,;-5.47,13.54,;-7.01,13.54,;-2.23,9.9,)|
Show InChI InChI=1S/C27H33N5O2S/c1-3-27(34,20-8-6-18(7-9-20)25(28)33)26-30-15-22(35-26)21-12-16(2)13-24(31-21)32-23-14-19(10-11-29-23)17-4-5-17/h10-15,17-18,20,34H,3-9H2,1-2H3,(H2,28,33)(H,29,31,32)/t18-,20-,27?
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n/an/a 3.10n/an/an/an/a7.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Homogeneous Time-Resolved Fluorescence (HTRF) assay for the recombinant human Syk enzyme: A recombinant GST-hSyk fusion protein was used to measure p...

US Patent US9120785 (2015)


BindingDB Entry DOI: 10.7270/Q2959G9C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM177771
PNG
(US9120785, Example 14-50)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1cnc(s1)C(C)(O)C1CC[C@H](C(O)=O)C(C)(C)C1 |r|
Show InChI InChI=1S/C26H30F2N4O3S/c1-14-9-18(31-21(10-14)32-20-11-15(22(27)28)7-8-29-20)19-13-30-24(36-19)26(4,35)16-5-6-17(23(33)34)25(2,3)12-16/h7-11,13,16-17,22,35H,5-6,12H2,1-4H3,(H,33,34)(H,29,31,32)/t16?,17-,26?/m1/s1
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n/an/a 6n/an/an/an/a7.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Homogeneous Time-Resolved Fluorescence (HTRF) assay for the recombinant human Syk enzyme: A recombinant GST-hSyk fusion protein was used to measure p...

US Patent US9120785 (2015)


BindingDB Entry DOI: 10.7270/Q2959G9C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM177766
PNG
(US9120785, Example 14-2)
Show SMILES CCCCOC(=O)C1CCC(CC1)C(C)(O)c1ncc(s1)-c1cc(C)cc(Nc2cc(OC)ccn2)n1 |(5.83,5.23,;5.06,3.9,;3.52,3.9,;2.75,2.56,;1.21,2.56,;.44,1.23,;1.21,-.1,;-1.1,1.23,;-1.93,-.1,;-3.47,-.1,;-4.23,1.23,;-3.47,2.56,;-1.93,2.56,;-5.78,1.23,;-6.86,2.32,;-5.01,2.56,;-6.55,-.1,;-8.09,-.1,;-8.56,-1.57,;-7.32,-2.47,;-6.07,-1.57,;-7.32,-4.01,;-5.98,-4.78,;-5.98,-6.32,;-4.65,-7.09,;-7.32,-7.09,;-8.65,-6.32,;-9.98,-7.09,;-11.32,-6.32,;-11.32,-4.78,;-12.65,-3.96,;-12.65,-2.42,;-13.98,-1.65,;-13.98,-4.78,;-13.98,-6.32,;-12.65,-7.09,;-8.65,-4.78,)|
Show InChI InChI=1S/C28H36N4O4S/c1-5-6-13-36-26(33)19-7-9-20(10-8-19)28(3,34)27-30-17-23(37-27)22-14-18(2)15-25(31-22)32-24-16-21(35-4)11-12-29-24/h11-12,14-17,19-20,34H,5-10,13H2,1-4H3,(H,29,31,32)
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n/an/a 219n/an/an/an/a7.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Homogeneous Time-Resolved Fluorescence (HTRF) assay for the recombinant human Syk enzyme: A recombinant GST-hSyk fusion protein was used to measure p...

US Patent US9120785 (2015)


BindingDB Entry DOI: 10.7270/Q2959G9C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM177762
PNG
(US9120785, Example 9 Enantiomer 1)
Show SMILES CCCCOC(=O)[C@H]1CC[C@@H](CC1)[C@@](C)(O)c1ncc(s1)-c1cc(C)cc(Nc2cc(C)c(F)cn2)n1 |r,wU:13.14,7.6,wD:13.15,10.10,(8.57,19.44,;7.08,19.84,;5.99,18.75,;4.51,19.15,;3.42,18.06,;1.93,18.46,;1.53,19.95,;.84,17.37,;1.24,15.88,;.15,14.79,;-1.34,15.19,;-1.74,16.68,;-.65,17.77,;-2.11,13.86,;-3.44,14.63,;-3.44,13.09,;-1.34,12.53,;.2,12.53,;.68,11.06,;-.57,10.16,;-1.81,11.06,;-.57,8.62,;.77,7.85,;.77,6.31,;2.1,5.54,;-.57,5.54,;-1.9,6.31,;-3.23,5.54,;-4.57,6.31,;-4.57,7.85,;-5.9,8.62,;-5.9,10.16,;-7.24,7.85,;-8.57,8.62,;-7.24,6.31,;-5.9,5.54,;-1.9,7.85,)|
Show InChI InChI=1S/C28H35FN4O3S/c1-5-6-11-36-26(34)19-7-9-20(10-8-19)28(4,35)27-31-16-23(37-27)22-12-17(2)13-25(32-22)33-24-14-18(3)21(29)15-30-24/h12-16,19-20,35H,5-11H2,1-4H3,(H,30,32,33)/t19-,20-,28-/m1/s1
PDB
MMDB

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KEGG

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Similars
US Patent
n/an/a 278n/an/an/an/a7.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Homogeneous Time-Resolved Fluorescence (HTRF) assay for the recombinant human Syk enzyme: A recombinant GST-hSyk fusion protein was used to measure p...

US Patent US9120785 (2015)


BindingDB Entry DOI: 10.7270/Q2959G9C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%