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Compile Data Set for Download or QSAR

Found 1286 hits with Last Name = 'northrup' and Initial = 'ab'   
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))		BDBM50075813
PNG
(CHEMBL3415598)
Show SMILES Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)nc(n1)-n1nccn1 |r|
Show InChI InChI=1S/C19H24N10O/c1-11-8-16(28-19(25-11)29-23-6-7-24-29)27-15-9-12(10-22-17(15)18(21)30)26-14-5-3-2-4-13(14)20/h6-10,13-14,26H,2-5,20H2,1H3,(H2,21,30)(H,25,27,28)/t13-,14+/m0/s1
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n/an/a 0.0100n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...

J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
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n/an/a 0.0600n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human SYK (1 to 635 end residues) expressed in baculovirus expression system preincubated for 10 mins followed b...

ACS Med Chem Lett 7: 1151-1155 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00353
BindingDB Entry DOI: 10.7270/Q2FB54XR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50075735
PNG
(CHEMBL3415583)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
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n/an/a 0.0600n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...

J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM301997
PNG
(US9598405, 1.5 | US9598405, 1.6)
Show SMILES CC1(C)C[C@](O)(CC[C@@H]1C(O)=O)c1ncc(s1)-c1cc(N)cc(Nc2cc(ccn2)C(F)(F)F)n1
Show InChI InChI=1S/C23H24F3N5O3S/c1-21(2)11-22(34,5-3-14(21)19(32)33)20-29-10-16(35-20)15-8-13(27)9-18(30-15)31-17-7-12(4-6-28-17)23(24,25)26/h4,6-10,14,34H,3,5,11H2,1-2H3,(H,32,33)(H3,27,28,30,31)/t14-,22-/m1/s1
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n/an/a 0.0710n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM302002
PNG
(US9598405, 2.1)
Show SMILES Cc1cc(Nc2cc(ccn2)-c2c[nH]nn2)nc(c1)-c1cnc(s1)C1(O)CCC(CC1)C(O)=O
Show InChI InChI=1S/C23H23N7O3S/c1-13-8-16(18-12-25-22(34-18)23(33)5-2-14(3-6-23)21(31)32)27-20(9-13)28-19-10-15(4-7-24-19)17-11-26-30-29-17/h4,7-12,14,33H,2-3,5-6H2,1H3,(H,31,32)(H,24,27,28)(H,26,29,30)
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n/an/a 0.0720n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM302016
PNG
(US9598405, 3.1)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)[C@]1(O)CC[C@@H](C(O)=O)C(C)(C)C1
Show InChI InChI=1S/C24H25F3N4O3S/c1-13-8-16(30-19(9-13)31-18-10-14(5-7-28-18)24(25,26)27)17-11-29-21(35-17)23(34)6-4-15(20(32)33)22(2,3)12-23/h5,7-11,15,34H,4,6,12H2,1-3H3,(H,32,33)(H,28,30,31)/t15-,23-/m0/s1
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n/an/a 0.0730n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM302034
PNG
(BDBM302035 | US9598405, 4.1)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)C1(O)CC2(CCCCC2)C1C(O)=O
Show InChI InChI=1S/C25H25F3N4O3S/c1-14-9-16(31-19(10-14)32-18-11-15(5-8-29-18)25(26,27)28)17-12-30-22(36-17)24(35)13-23(20(24)21(33)34)6-3-2-4-7-23/h5,8-12,20,35H,2-4,6-7,13H2,1H3,(H,33,34)(H,29,31,32)
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n/an/a 0.0860n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM302018
PNG
(US9598405, 3.3 | US9598405, 3.7)
Show SMILES CC1(C)C[C@](O)(CC[C@@H]1C(O)=O)c1ncc(s1)-c1cccc(Nc2cc(ccn2)C(F)(F)F)n1
Show InChI InChI=1S/C23H23F3N4O3S/c1-21(2)12-22(33,8-6-14(21)19(31)32)20-28-11-16(34-20)15-4-3-5-17(29-15)30-18-10-13(7-9-27-18)23(24,25)26/h3-5,7,9-11,14,33H,6,8,12H2,1-2H3,(H,31,32)(H,27,29,30)/t14-,22-/m1/s1
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n/an/a 0.0920n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM302028
PNG
(US9598405, 3.13)
Show SMILES Cc1cc(Nc2cc(C)c(Cl)cn2)nc(c1)-c1cnc(s1)[C@@]1(O)CC[C@H](C(O)=O)C(C)(C)C1
Show InChI InChI=1S/C24H27ClN4O3S/c1-13-7-17(28-20(8-13)29-19-9-14(2)16(25)10-26-19)18-11-27-22(33-18)24(32)6-5-15(21(30)31)23(3,4)12-24/h7-11,15,32H,5-6,12H2,1-4H3,(H,30,31)(H,26,28,29)/t15-,24-/m1/s1
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n/an/a 0.0970n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
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 0.100n/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))		BDBM50075922
PNG
(CHEMBL3415606)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc(n2)-n2nccn2)c1 |r|
Show InChI InChI=1S/C19H23N9O/c20-13-4-1-2-5-14(13)25-12-10-15(18(19(21)29)22-11-12)26-16-6-3-7-17(27-16)28-23-8-9-24-28/h3,6-11,13-14,25H,1-2,4-5,20H2,(H2,21,29)(H,26,27)/t13-,14+/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...

J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50075744
PNG
(CHEMBL3415594)
Show SMILES Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)nc(C)c1-c1cnn(C)c1 |r|
Show InChI InChI=1S/C23H30N8O/c1-13-8-20(28-14(2)21(13)15-10-27-31(3)12-15)30-19-9-16(11-26-22(19)23(25)32)29-18-7-5-4-6-17(18)24/h8-12,17-18,29H,4-7,24H2,1-3H3,(H2,25,32)(H,28,30)/t17-,18+/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...

J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50075740
PNG
(CHEMBL3415589)
Show SMILES Cc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1 |r|
Show InChI InChI=1S/C18H24N6O3S/c1-10-5-11(2)22-16(6-10)24-14-7-12(8-21-17(14)18(20)25)23-15-9-28(26,27)4-3-13(15)19/h5-8,13,15,23H,3-4,9,19H2,1-2H3,(H2,20,25)(H,22,24)/t13-,15+/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...

J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM301993
PNG
(BDBM301994 | US9598405, 1.1)
Show SMILES Cc1cc(Nc2cc(ccn2)C2CC2)nc(c1)-c1cnc(s1)[C@@]1(O)CC[C@H](C(O)=O)C(C)(C)C1
Show InChI InChI=1S/C26H30N4O3S/c1-15-10-19(29-22(11-15)30-21-12-17(7-9-27-21)16-4-5-16)20-13-28-24(34-20)26(33)8-6-18(23(31)32)25(2,3)14-26/h7,9-13,16,18,33H,4-6,8,14H2,1-3H3,(H,31,32)(H,27,29,30)/t18-,26-/m1/s1
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n/an/a 0.103n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM302029
PNG
(US9598405, 3.14)
Show SMILES COc1ccnc(Nc2cc(C)cc(n2)-c2cnc(s2)[C@@]2(O)CC[C@H](C(O)=O)C(C)(C)C2)c1
Show InChI InChI=1S/C24H28N4O4S/c1-14-9-17(27-20(10-14)28-19-11-15(32-4)6-8-25-19)18-12-26-22(33-18)24(31)7-5-16(21(29)30)23(2,3)13-24/h6,8-12,16,31H,5,7,13H2,1-4H3,(H,29,30)(H,25,27,28)/t16-,24-/m1/s1
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n/an/a 0.104n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM302032
PNG
(US9598405, 3.17)
Show SMILES Cc1ccnc(Nc2cc(C)cc(n2)-c2cnc(s2)[C@@]2(O)CC[C@H](C(O)=O)C(C)(C)C2)c1
Show InChI InChI=1S/C24H28N4O3S/c1-14-6-8-25-19(10-14)28-20-11-15(2)9-17(27-20)18-12-26-22(32-18)24(31)7-5-16(21(29)30)23(3,4)13-24/h6,8-12,16,31H,5,7,13H2,1-4H3,(H,29,30)(H,25,27,28)/t16-,24-/m1/s1
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n/an/a 0.113n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM302000
PNG
(US9598405, 1.8)
Show SMILES CC1(C)CC(O)(CCC1C(O)=O)c1ncc(s1)-c1cc(N)cc(Nc2cc(ccn2)C(F)(F)F)n1
Show InChI InChI=1S/C23H24F3N5O3S/c1-21(2)11-22(34,5-3-14(21)19(32)33)20-29-10-16(35-20)15-8-13(27)9-18(30-15)31-17-7-12(4-6-28-17)23(24,25)26/h4,6-10,14,34H,3,5,11H2,1-2H3,(H,32,33)(H3,27,28,30,31)
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n/an/a 0.119n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM302030
PNG
(US9598405, 3.15)
Show SMILES Cc1cc(Nc2cc(C)c(F)cn2)nc(c1)-c1cnc(s1)[C@@]1(O)CC[C@H](C(O)=O)C(C)(C)C1
Show InChI InChI=1S/C24H27FN4O3S/c1-13-7-17(28-20(8-13)29-19-9-14(2)16(25)10-26-19)18-11-27-22(33-18)24(32)6-5-15(21(30)31)23(3,4)12-24/h7-11,15,32H,5-6,12H2,1-4H3,(H,30,31)(H,26,28,29)/t15-,24-/m1/s1
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n/an/a 0.127n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM189867
PNG
(US9670196, 2.3 (R or S)-5-hydroxy-5-{5-[3- methyl-...)
Show SMILES Cc1cc(Nc2nc3ccccn3n2)cc(c1)-c1cnc(s1)[C@@]1(O)CCCc2cc(ccc12)C(O)=O |r|
Show InChI InChI=1S/C27H23N5O3S/c1-16-11-19(14-20(12-16)29-26-30-23-6-2-3-10-32(23)31-26)22-15-28-25(36-22)27(35)9-4-5-17-13-18(24(33)34)7-8-21(17)27/h2-3,6-8,10-15,35H,4-5,9H2,1H3,(H,29,31)(H,33,34)/t27-/m1/s1
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n/an/a 0.129n/an/an/an/a7.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9670196 (2017)


BindingDB Entry DOI: 10.7270/Q2D798MJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM302013
PNG
(US9598405, 2.12)
Show SMILES Cc1cc(Nc2cc(OC3CCNCC3)ccn2)nc(c1)-c1cnc(s1)C1(O)CCC(CC1)C(O)=O |(10.66,-14.61,;11.29,-13.2,;12.82,-13.04,;13.45,-11.63,;14.98,-11.47,;15.61,-10.06,;17.14,-9.9,;17.76,-8.5,;19.3,-8.33,;20.2,-9.58,;21.73,-9.42,;22.64,-10.66,;22.01,-12.07,;20.48,-12.23,;19.57,-10.99,;16.86,-7.25,;15.33,-7.41,;14.7,-8.82,;12.54,-10.38,;11.01,-10.55,;10.38,-11.95,;10.11,-9.3,;8.57,-9.3,;8.09,-7.84,;9.34,-6.93,;10.58,-7.84,;9.34,-5.39,;10.85,-5.66,;7.82,-5.66,;6.83,-4.48,;7.36,-3.03,;8.87,-2.76,;9.86,-3.94,;6.37,-1.85,;4.85,-2.12,;6.89,-.4,)|
Show InChI InChI=1S/C26H31N5O4S/c1-16-12-20(21-15-29-25(36-21)26(34)7-2-17(3-8-26)24(32)33)30-23(13-16)31-22-14-19(6-11-28-22)35-18-4-9-27-10-5-18/h6,11-15,17-18,27,34H,2-5,7-10H2,1H3,(H,32,33)(H,28,30,31)
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n/an/a 0.152n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM302017
PNG
(US9598405, 3.2 | US9598405, 3.6)
Show SMILES CC(C)(C)c1ccnc(Nc2cccc(n2)-c2cnc(s2)[C@@]2(O)CC[C@H](C(O)=O)C(C)(C)C2)c1
Show InChI InChI=1S/C26H32N4O3S/c1-24(2,3)16-10-12-27-21(13-16)30-20-8-6-7-18(29-20)19-14-28-23(34-19)26(33)11-9-17(22(31)32)25(4,5)15-26/h6-8,10,12-14,17,33H,9,11,15H2,1-5H3,(H,31,32)(H,27,29,30)/t17-,26-/m1/s1
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n/an/a 0.158n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM302033
PNG
(US9598405, 3.18)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)[C@@]1(O)CC[C@H](C(O)=O)C(C)(C)C1
Show InChI InChI=1S/C24H25F3N4O3S/c1-13-8-16(30-19(9-13)31-18-10-14(5-7-28-18)24(25,26)27)17-11-29-21(35-17)23(34)6-4-15(20(32)33)22(2,3)12-23/h5,7-11,15,34H,4,6,12H2,1-3H3,(H,32,33)(H,28,30,31)/t15-,23-/m1/s1
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n/an/a 0.160n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM302042
PNG
(US9598405, 5.1)
Show SMILES C[C@@H]1C[C@](O)(CC[C@@H]1C(O)=O)c1ncc(s1)-c1cc(C)cc(Nc2cc(C)c(F)cn2)n1
Show InChI InChI=1S/C23H25FN4O3S/c1-12-6-17(27-20(7-12)28-19-8-13(2)16(24)10-25-19)18-11-26-22(32-18)23(31)5-4-15(21(29)30)14(3)9-23/h6-8,10-11,14-15,31H,4-5,9H2,1-3H3,(H,29,30)(H,25,27,28)/t14-,15+,23-/m1/s1
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n/an/a 0.161n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM301996
PNG
(US9598405, 1.4)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)C1(O)CCC(C(O)=O)C(C)(C)C1
Show InChI InChI=1S/C24H25F3N4O3S/c1-13-8-16(30-19(9-13)31-18-10-14(5-7-28-18)24(25,26)27)17-11-29-21(35-17)23(34)6-4-15(20(32)33)22(2,3)12-23/h5,7-11,15,34H,4,6,12H2,1-3H3,(H,32,33)(H,28,30,31)
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n/an/a 0.164n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM340000
PNG
(5-{[(3R,4R)-3- aminotetrahydro-2H-pyran-4- yl]amin...)
Show SMILES CCc1ccc2[nH]c(cc2c1)-c1nc(N[C@@H]2CCOC[C@@H]2N)cnc1C(N)=O |r|
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n/an/a 0.200n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9775839 (2017)


BindingDB Entry DOI: 10.7270/Q2MG7RN9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM339977
PNG
(5-{[(1R,2S)-2-aminocyclohexyl]amino}-3-(5-chloro-1...)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C19H21ClN6O/c20-11-5-6-13-10(7-11)8-15(24-13)17-18(19(22)27)23-9-16(26-17)25-14-4-2-1-3-12(14)21/h5-9,12,14,24H,1-4,21H2,(H2,22,27)(H,25,26)/t12-,14+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9775839 (2017)


BindingDB Entry DOI: 10.7270/Q2MG7RN9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50075747
PNG
(CHEMBL3415597)
Show SMILES Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)cc(OCC(C)(C)O)n1 |r|
Show InChI InChI=1S/C21H31N7O3/c1-12-25-17(9-18(26-12)31-11-21(2,3)30)28-16-8-13(10-24-19(16)20(23)29)27-15-7-5-4-6-14(15)22/h8-10,14-15,27,30H,4-7,11,22H2,1-3H3,(H2,23,29)(H,25,26,28)/t14-,15+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...

J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50604556
PNG
(CHEMBL5175703)
Show SMILES N.N.[H][C@@]12COP(O)(=O)O[C@@]3([H])[C@H](F)[C@@H](O[C@]3([H])COP(O)(=O)O[C@]([H])([C@@H]1O)[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c(N)ncnc12 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM302026
PNG
(US9598405, 3.11)
Show SMILES Cc1cc(Nc2cccc(n2)-c2cnc(s2)[C@@]2(O)CC[C@H](C(O)=O)C(C)(C)C2)ncc1Cl
Show InChI InChI=1S/C23H25ClN4O3S/c1-13-9-19(25-10-15(13)24)28-18-6-4-5-16(27-18)17-11-26-21(32-17)23(31)8-7-14(20(29)30)22(2,3)12-23/h4-6,9-11,14,31H,7-8,12H2,1-3H3,(H,29,30)(H,25,27,28)/t14-,23-/m1/s1
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n/an/a 0.208n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM302036
PNG
(BDBM302037 | US9598405, 4.3)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)C1(O)CC2CCC(C1)C2C(O)=O |TLB:24:23:27.28:31,(13.28,-2.32,;11.96,-1.53,;11.98,.01,;10.66,.8,;10.68,2.34,;9.36,3.13,;9.38,4.67,;8.06,5.46,;6.71,4.71,;6.69,3.17,;8.01,2.38,;8.08,7,;8.1,8.54,;9.62,6.98,;6.54,7.02,;9.31,.05,;9.29,-1.49,;10.61,-2.28,;7.95,-2.24,;7.76,-3.77,;6.25,-4.07,;5.5,-2.72,;6.55,-1.59,;3.97,-2.54,;3.36,-3.95,;3.71,-1.01,;1.98,-1.04,;1.38,-2.36,;.22,-3.07,;1.19,-1.74,;3.01,-1.74,;.93,-.22,;.14,1.1,;.9,2.45,;-1.4,1.08,)|
Show InChI InChI=1S/C24H23F3N4O3S/c1-12-6-16(30-19(7-12)31-18-8-15(4-5-28-18)24(25,26)27)17-11-29-22(35-17)23(34)9-13-2-3-14(10-23)20(13)21(32)33/h4-8,11,13-14,20,34H,2-3,9-10H2,1H3,(H,32,33)(H,28,30,31)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM340008
PNG
((S)-5-((2-Aminopropyl)amino)-3-(5-(pyridin-3-yl)-1...)
Show SMILES C[C@H](N)CNc1cnc(C(N)=O)c(n1)-c1cc2cc(ccc2[nH]1)-c1cccnc1
Show InChI InChI=1S/C21H21N7O/c1-12(22)9-25-18-11-26-20(21(23)29)19(28-18)17-8-15-7-13(4-5-16(15)27-17)14-3-2-6-24-10-14/h2-8,10-12,27H,9,22H2,1H3,(H2,23,29)(H,25,28)/t12-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9775839 (2017)


BindingDB Entry DOI: 10.7270/Q2MG7RN9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)		BDBM50509399
PNG
(CHEMBL4468010)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2F)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H22F2N10O11P2/c21-8-6-1-38-44(34,35)42-12-7(41-18(9(12)22)31-4-27-10-14(23)25-3-26-15(10)31)2-39-45(36,37)43-13(8)19(40-6)32-5-28-11-16(32)29-20(24)30-17(11)33/h3-9,12-13,18-19H,1-2H2,(H,34,35)(H,36,37)(H2,23,25,26)(H3,24,29,30,33)/t6-,7-,8-,9-,12-,13-,18-,19-/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02197
BindingDB Entry DOI: 10.7270/Q2028WM5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM302006
PNG
(US9598405, 2.5)
Show SMILES CCOC(=O)C1CCC(O)(CC1)c1ncc(s1)-c1cc(C)cc(Nc2cc(ccn2)-c2cn(C)nn2)n1
Show InChI InChI=1S/C26H29N7O3S/c1-4-36-24(34)17-5-8-26(35,9-6-17)25-28-14-21(37-25)19-11-16(2)12-23(29-19)30-22-13-18(7-10-27-22)20-15-33(3)32-31-20/h7,10-15,17,35H,4-6,8-9H2,1-3H3,(H,27,29,30)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM302014
PNG
(US9598405, 2.13)
Show SMILES CCOC(=O)C1CCC(O)(CC1)c1ncc(s1)-c1cc(C)cc(Nc2cc(ccn2)-c2c[nH]nn2)n1
Show InChI InChI=1S/C25H27N7O3S/c1-3-35-23(33)16-4-7-25(34,8-5-16)24-27-14-20(36-24)18-10-15(2)11-22(29-18)30-21-12-17(6-9-26-21)19-13-28-32-31-19/h6,9-14,16,34H,3-5,7-8H2,1-2H3,(H,26,29,30)(H,28,31,32)
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n/an/a 0.333n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM302039
PNG
(US9598405, 4.6)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1cnc(s1)C1(O)CCC(CC1)C(O)=O
Show InChI InChI=1S/C22H21F3N4O3S/c1-12-8-15(28-18(9-12)29-17-10-14(4-7-26-17)22(23,24)25)16-11-27-20(33-16)21(32)5-2-13(3-6-21)19(30)31/h4,7-11,13,32H,2-3,5-6H2,1H3,(H,30,31)(H,26,28,29)
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n/an/a 0.392n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9598405 (2017)


BindingDB Entry DOI: 10.7270/Q2BR8V7T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50075819
PNG
(CHEMBL3415604)
Show SMILES Cc1cc(CCC(C)(C)O)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1 |r|
Show InChI InChI=1S/C23H34N6O2/c1-14-10-15(8-9-23(2,3)31)11-20(27-14)29-19-12-16(13-26-21(19)22(25)30)28-18-7-5-4-6-17(18)24/h10-13,17-18,28,31H,4-9,24H2,1-3H3,(H2,25,30)(H,27,29)/t17-,18+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...

J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM339978
PNG
(5-{[(2S)-2- aminopropyl]amino}-3-(4- bromo-1H-indo...)
Show SMILES C[C@H](N)CNc1cnc(C(N)=O)c(n1)-c1cc2c(Br)cccc2[nH]1 |r|
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9775839 (2017)


BindingDB Entry DOI: 10.7270/Q2MG7RN9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50075732
PNG
(CHEMBL3414584 | US9775839, 2.1)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1cc2ccccc2[nH]1 |r|
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9775839 (2017)


BindingDB Entry DOI: 10.7270/Q2MG7RN9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM339979
PNG
(5-[(3-aminotetrahydro-2H- pyran-4-yl)amino]-3-(4- ...)
Show SMILES NC1COCCC1Nc1cnc(C(N)=O)c(n1)-c1cc2c(Cl)cccc2[nH]1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9775839 (2017)


BindingDB Entry DOI: 10.7270/Q2MG7RN9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM339998
PNG
(5-{[(3R,4R)-3- aminotetrahydro-2H-pyran-4- yl]amin...)
Show SMILES N[C@H]1COCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1cc2c3OCCOc3ccc2[nH]1 |r|
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9775839 (2017)


BindingDB Entry DOI: 10.7270/Q2MG7RN9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM339999
PNG
(5-{[(3R,4R)-3- aminotetrahydro-2H-pyran-4- yl]amin...)
Show SMILES COc1ccc2[nH]c(cc2c1OC)-c1nc(N[C@@H]2CCOC[C@@H]2N)cnc1C(N)=O |r|
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...

US Patent US9775839 (2017)


BindingDB Entry DOI: 10.7270/Q2MG7RN9
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM393974
PNG
(5-(4-{[trans-4- (morpholin-4- yl)cyclohexyl]amino}...)
Show SMILES Oc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(1.92,6.67,;.39,6.67,;-.38,8,;-1.92,8,;-2.69,6.67,;-1.92,5.33,;-.38,5.33,;-2.69,4,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-4.23,-1.33,;-2.69,-1.33,;-1.92,,;-.38,,;.39,-1.33,;1.93,-1.33,;2.7,-2.67,;1.93,-4,;.39,-4,;-.38,-2.67,;2.7,-5.33,;1.92,-6.67,;2.7,-8,;4.23,-8,;5,-6.67,;4.23,-5.33,;-2.69,1.33,;-1.92,2.67,)|
Show InChI InChI=1S/C23H27N5O2/c29-20-11-17(13-24-14-20)16-1-6-22-21(12-16)23(26-15-25-22)27-18-2-4-19(5-3-18)28-7-9-30-10-8-28/h1,6,11-15,18-19,29H,2-5,7-10H2,(H,25,26,27)/t18-,19-
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Purdue University



Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...

J Med Chem 52: 1873-84 (2009)


BindingDB Entry DOI: 10.7270/Q2CN767V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM394042
PNG
(2-fluoro-5-(4-{[trans-4- (morpholin-4- yl)cyclohex...)
Show SMILES Oc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:20.24,wD:17.17,(1.93,6,;.38,6,;-.38,4.67,;-1.93,4.67,;-2.69,6,;-1.93,7.34,;-.38,7.34,;.38,8.67,;-2.69,3.33,;-4.23,3.33,;-5,2,;-4.23,.67,;-5,-.67,;-4.23,-2,;-2.69,-2,;-1.93,-.67,;-.38,-.67,;.38,-2,;-.39,-3.33,;.38,-4.67,;1.92,-4.67,;2.69,-3.33,;1.92,-2,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5,-7.34,;4.23,-6,;-2.69,.67,;-1.93,2,)|
Show InChI InChI=1S/C23H26FN5O2/c24-22-21(30)12-16(13-25-22)15-1-6-20-19(11-15)23(27-14-26-20)28-17-2-4-18(5-3-17)29-7-9-31-10-8-29/h1,6,11-14,17-18,30H,2-5,7-10H2,(H,26,27,28)/t17-,18-
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n/an/a<0.5n/an/an/an/an/an/a



Purdue University



Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...

J Med Chem 52: 1873-84 (2009)


BindingDB Entry DOI: 10.7270/Q2CN767V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM394051
PNG
(US9969749, Example 5-1)
Show SMILES Oc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)(F)CC3)c2c1 |r,wU:20.24,wD:17.17,(1.64,6.77,;.1,6.77,;-.67,5.44,;-2.21,5.44,;-2.98,6.77,;-2.21,8.11,;-.67,8.11,;.1,9.44,;-2.98,4.1,;-4.52,4.1,;-5.29,2.77,;-4.52,1.44,;-5.29,.1,;-4.52,-1.23,;-2.98,-1.23,;-2.21,.1,;-.67,.1,;.1,-1.23,;-.67,-2.56,;.1,-3.9,;1.64,-3.9,;2.41,-2.56,;1.64,-1.23,;2.41,-5.23,;1.64,-6.57,;2.41,-7.9,;3.95,-7.9,;3.95,-9.44,;5.29,-8.67,;4.72,-6.57,;3.95,-5.23,;-2.98,1.44,;-2.21,2.77,)|
Show InChI InChI=1S/C24H26F3N5O/c25-22-21(33)12-16(13-28-22)15-1-6-20-19(11-15)23(30-14-29-20)31-17-2-4-18(5-3-17)32-9-7-24(26,27)8-10-32/h1,6,11-14,17-18,33H,2-5,7-10H2,(H,29,30,31)/t17-,18-
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Purdue University



Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...

J Med Chem 52: 1873-84 (2009)


BindingDB Entry DOI: 10.7270/Q2CN767V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM394054
PNG
(5-[4-({trans-4-[(2- methoxyethyl)amino]cyclo- hexy...)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncc(O)c1 |r,wU:5.4,wD:8.11,(2.69,-8,;4.23,-8,;5,-6.67,;4.23,-5.33,;2.69,-5.33,;1.92,-4,;.39,-4,;-.39,-2.67,;.39,-1.33,;1.92,-1.33,;2.7,-2.67,;-.38,,;-1.92,,;-2.69,-1.33,;-4.23,-1.33,;-5,,;-4.23,1.33,;-5,2.67,;-4.23,4,;-2.69,4,;-1.92,2.67,;-2.69,1.33,;-1.92,5.33,;-2.69,6.67,;-1.92,8,;-.38,8,;.39,6.67,;1.93,6.67,;-.38,5.33,)|
Show InChI InChI=1S/C22H27N5O2/c1-29-9-8-24-17-3-5-18(6-4-17)27-22-20-11-15(2-7-21(20)25-14-26-22)16-10-19(28)13-23-12-16/h2,7,10-14,17-18,24,28H,3-6,8-9H2,1H3,(H,25,26,27)/t17-,18-
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Purdue University



Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...

J Med Chem 52: 1873-84 (2009)


BindingDB Entry DOI: 10.7270/Q2CN767V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM394056
PNG
(5-[4-({trans-4-[(2R,6S)- 2,6-dimethylmorpholin-4- ...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncc(O)c1 |r,wU:8.8,5.5,1.0,wD:11.15,(1.15,-8.67,;1.92,-7.34,;1.15,-6,;1.92,-4.67,;3.46,-4.67,;4.23,-6,;5.78,-6,;3.46,-7.34,;1.15,-3.33,;-.38,-3.33,;-1.16,-2,;-.38,-.67,;1.15,-.67,;1.93,-2,;-1.15,.67,;-2.69,.67,;-3.47,-.67,;-5,-.67,;-5.78,.67,;-5,2,;-5.78,3.33,;-5,4.67,;-3.47,4.67,;-2.69,3.33,;-3.47,2,;-2.69,6,;-3.47,7.34,;-2.69,8.67,;-1.15,8.67,;-.38,7.34,;1.15,7.34,;-1.15,6,)|
Show InChI InChI=1S/C25H31N5O2/c1-16-13-30(14-17(2)32-16)21-6-4-20(5-7-21)29-25-23-10-18(3-8-24(23)27-15-28-25)19-9-22(31)12-26-11-19/h3,8-12,15-17,20-21,31H,4-7,13-14H2,1-2H3,(H,27,28,29)/t16-,17+,20-,21-
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Purdue University



Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...

J Med Chem 52: 1873-84 (2009)


BindingDB Entry DOI: 10.7270/Q2CN767V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM394063
PNG
(2-fluoro-5-(4-{[trans-4- (4-fluoropiperidin-1- yl)...)
Show SMILES Oc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)CC3)c2c1 |r,wU:20.24,wD:17.17,(1.93,6.67,;.38,6.67,;-.38,5.33,;-1.93,5.33,;-2.69,6.67,;-1.93,8,;-.38,8,;.38,9.34,;-2.69,4,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-4.23,-1.33,;-2.69,-1.33,;-1.93,,;-.38,,;.38,-1.33,;-.39,-2.67,;.38,-4,;1.92,-4,;2.69,-2.67,;1.92,-1.33,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5,-9.34,;5,-6.67,;4.23,-5.33,;-2.69,1.33,;-1.93,2.67,)|
Show InChI InChI=1S/C24H27F2N5O/c25-17-7-9-31(10-8-17)19-4-2-18(3-5-19)30-24-20-11-15(1-6-21(20)28-14-29-24)16-12-22(32)23(26)27-13-16/h1,6,11-14,17-19,32H,2-5,7-10H2,(H,28,29,30)/t18-,19-
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Purdue University



Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...

J Med Chem 52: 1873-84 (2009)


BindingDB Entry DOI: 10.7270/Q2CN767V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM394067
PNG
(5-(4-{[trans-4-(4,4- difluoropiperidin-1- yl)cyclo...)
Show SMILES Oc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)(F)CC3)c2c1 |r,wU:16.16,wD:19.23,(1.64,7.44,;.1,7.44,;-.67,8.77,;-2.21,8.77,;-2.98,7.44,;-2.21,6.1,;-.67,6.1,;-2.98,4.77,;-4.52,4.77,;-5.29,3.44,;-4.52,2.1,;-5.29,.77,;-4.52,-.56,;-2.98,-.56,;-2.21,.77,;-.67,.77,;.1,-.56,;1.64,-.56,;2.41,-1.9,;1.64,-3.23,;.1,-3.23,;-.67,-1.9,;2.41,-4.56,;1.64,-5.9,;2.41,-7.23,;3.95,-7.23,;3.95,-8.77,;5.29,-8,;4.72,-5.9,;3.95,-4.56,;-2.98,2.1,;-2.21,3.44,)|
Show InChI InChI=1S/C24H27F2N5O/c25-24(26)7-9-31(10-8-24)19-4-2-18(3-5-19)30-23-21-12-16(1-6-22(21)28-15-29-23)17-11-20(32)14-27-13-17/h1,6,11-15,18-19,32H,2-5,7-10H2,(H,28,29,30)/t18-,19-
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Purdue University



Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...

J Med Chem 52: 1873-84 (2009)


BindingDB Entry DOI: 10.7270/Q2CN767V
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM394068
PNG
(5-(4-{[trans-4-(4- fluoropiperidin-1- yl)cyclohexy...)
Show SMILES Oc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)CC3)c2c1 |r,wU:16.16,wD:19.23,(1.93,7.34,;.38,7.34,;-.38,8.67,;-1.93,8.67,;-2.69,7.34,;-1.93,6,;-.38,6,;-2.69,4.67,;-4.23,4.67,;-5,3.33,;-4.23,2,;-5,.67,;-4.23,-.67,;-2.69,-.67,;-1.93,.67,;-.38,.67,;.38,-.67,;1.92,-.67,;2.69,-2,;1.92,-3.33,;.38,-3.33,;-.39,-2,;2.69,-4.67,;1.92,-6,;2.69,-7.34,;4.23,-7.34,;5,-8.67,;5,-6,;4.23,-4.67,;-2.69,2,;-1.93,3.33,)|
Show InChI InChI=1S/C24H28FN5O/c25-18-7-9-30(10-8-18)20-4-2-19(3-5-20)29-24-22-12-16(1-6-23(22)27-15-28-24)17-11-21(31)14-26-13-17/h1,6,11-15,18-20,31H,2-5,7-10H2,(H,27,28,29)/t19-,20-
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US Patent
n/an/a<0.5n/an/an/an/an/an/a



Purdue University



Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...

J Med Chem 52: 1873-84 (2009)


BindingDB Entry DOI: 10.7270/Q2CN767V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM124614
PNG
(US8759366, 4-{1-hydroxy-1-[5-(3-methyl-5-{[4-(trif...)
Show SMILES Cc1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)-c1cnc(s1)C(C)(O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H19F3N4O3S/c1-13-9-15(11-17(10-13)30-22-28-8-7-19(31-22)24(25,26)27)18-12-29-21(35-18)23(2,34)16-5-3-14(4-6-16)20(32)33/h3-12,34H,1-2H3,(H,32,33)(H,28,30,31)
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Similars
US Patent
n/an/a<0.5n/an/an/an/a7.525



Merck Sharp & Dohme Corp.; Merck Canada Inc.

US Patent


Assay Description
A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human SYK activity. The recombinant human GST-SYK (Carna Bi...

US Patent US8759366 (2014)


BindingDB Entry DOI: 10.7270/Q21N7ZS1
More data for this
Ligand-Target Pair
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