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Compile Data Set for Download or QSAR

Found 820 hits with Last Name = 'dang' and Initial = 'q'   
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
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM77064
PNG
(US9695197, 4)
Show SMILES CNC1=N[C@H]2[C@@H](S1)S[C@H](CO)[C@@H](O)[C@@H]2O
Show InChI InChI=1/C8H14N2O3S2/c1-9-8-10-4-6(13)5(12)3(2-11)14-7(4)15-8/h3-7,11-13H,2H2,1H3,(H,9,10)/t3-,4-,5-,6-,7-/s2
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0.110 -56.8n/an/an/an/an/a7.025



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


US Patent US9695197 (2017)


BindingDB Entry DOI: 10.7270/Q247481J
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM50323697
PNG
((3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL...)
Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/s2
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US Patent
0.400 -53.6n/an/an/an/an/a7.025



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


US Patent US9695197 (2017)


BindingDB Entry DOI: 10.7270/Q247481J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM77047
PNG
(US9695197, 3)
Show SMILES CCCNC1=N[C@H]2[C@@H](S1)S[C@H](CO)[C@@H](O)[C@@H]2O
Show InChI InChI=1/C10H18N2O3S2/c1-2-3-11-10-12-6-8(15)7(14)5(4-13)16-9(6)17-10/h5-9,13-15H,2-4H2,1H3,(H,11,12)/t5-,6-,7-,8-,9-/s2
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1.40 -50.5n/an/an/an/an/a7.025



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


US Patent US9695197 (2017)


BindingDB Entry DOI: 10.7270/Q247481J
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM70885
PNG
(US9695197, 2)
Show SMILES CCNC1=N[C@H]2[C@@H](S1)S[C@H](CO)[C@@H](O)[C@@H]2O
Show InChI InChI=1/C9H16N2O3S2/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/s2
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3 -48.6n/an/an/an/an/a7.025



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


US Patent US9695197 (2017)


BindingDB Entry DOI: 10.7270/Q247481J
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM70719
PNG
(US9695197, 1)
Show SMILES CCNC1=N[C@H]2[C@@H](O1)S[C@H](CO)[C@@H](O)[C@@H]2O
Show InChI InChI=1/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)16-8(5)15-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8+/s2
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3 -48.6n/an/an/an/an/a7.025



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


US Patent US9695197 (2017)


BindingDB Entry DOI: 10.7270/Q247481J
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM77863
PNG
(US9695197, 5)
Show SMILES CCNC1=N[C@H]2[C@@H](S1)S[C@H](C(F)F)[C@@H](O)[C@@H]2O
Show InChI InChI=1/C9H14F2N2O2S2/c1-2-12-9-13-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5+,6+,8-/s2
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22 -43.7n/an/an/an/an/a7.025



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


US Patent US9695197 (2017)


BindingDB Entry DOI: 10.7270/Q247481J
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM163037
PNG
(US9061041, Compound C)
Show SMILES CCOc1nc(N)nc2n(cnc12)[C@@H]1O[C@@H]2COP(=O)(OC2[C@@]1(C)F)C(C)C
Show InChI InChI=1/C16H23FN5O5P/c1-5-24-13-10-12(20-15(18)21-13)22(7-19-10)14-16(4,17)11-9(26-14)6-25-28(23,27-11)8(2)3/h7-9,11,14H,5-6H2,1-4H3,(H2,18,20,21)/t9-,11?,14-,16-,28?/s2
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30 -42.9n/an/an/an/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...


US Patent US9061041 (2015)


BindingDB Entry DOI: 10.7270/Q2GM862K
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM163034
PNG
(US9061041, 99)
Show SMILES COc1nc(N)nc2n(cnc12)[C@@H]1O[C@@H]2COP(=O)(OC(C)C)O[C@H]2[C@@]1(C)N
Show InChI InChI=1/C15H23N6O6P/c1-7(2)26-28(22)24-5-8-10(27-28)15(3,17)13(25-8)21-6-18-9-11(21)19-14(16)20-12(9)23-4/h6-8,10,13H,5,17H2,1-4H3,(H2,16,19,20)/t8-,10-,13-,15-,28?/s2
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60 -41.2n/an/an/an/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...


US Patent US9061041 (2015)


BindingDB Entry DOI: 10.7270/Q2GM862K
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM163032
PNG
(US9061041, 26)
Show SMILES CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(N)C1O)Oc1ccccc1
Show InChI InChI=1/C22H32N5O8P/c1-13(2)33-19(29)14(3)26-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,24)20(34-16)27-11-10-17(23)25-21(27)30/h5-11,13-14,16,18,20,28H,12,24H2,1-4H3,(H,26,31)(H2,23,25,30)/t14-,16+,18?,20+,22+,36?/s2
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70 -40.8n/an/an/an/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...


US Patent US9061041 (2015)


BindingDB Entry DOI: 10.7270/Q2GM862K
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM163036
PNG
(US9061041, Compound B)
Show SMILES CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1
Show InChI InChI=1/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36?/s2
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1.50E+3 -33.2n/an/an/an/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...


US Patent US9061041 (2015)


BindingDB Entry DOI: 10.7270/Q2GM862K
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM163033
PNG
(US9061041, 24)
Show SMILES CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(N)[C@@H]1O)Oc1ccccc1
Show InChI InChI=1/C22H31N4O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12,23H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36?/s2
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4.70E+3 -30.4n/an/an/an/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...


US Patent US9061041 (2015)


BindingDB Entry DOI: 10.7270/Q2GM862K
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM163035
PNG
(US9061041, 93)
Show SMILES CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(C#C)[C@@H]1O)Oc1ccccc1
Show InChI InChI=1/C24H30N3O9P/c1-6-24(5)20(29)18(35-22(24)27-13-12-19(28)25-23(27)31)14-33-37(32,36-17-10-8-7-9-11-17)26-16(4)21(30)34-15(2)3/h1,7-13,15-16,18,20,22,29H,14H2,2-5H3,(H,26,32)(H,25,28,31)/t16-,18+,20+,22+,24+,37?/s2
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6.00E+3 -29.8n/an/an/an/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...


US Patent US9061041 (2015)


BindingDB Entry DOI: 10.7270/Q2GM862K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182242
PNG
(US9145391, 14)
Show SMILES CC([C@H]1CC[C@@H](CC1)C(O)=O)c1ccc(cn1)-c1cc(C)cc(Nc2cc(ccn2)C(F)(F)F)n1
Show InChI InChI=1/C26H27F3N4O2/c1-15-11-22(32-24(12-15)33-23-13-20(9-10-30-23)26(27,28)29)19-7-8-21(31-14-19)16(2)17-3-5-18(6-4-17)25(34)35/h7-14,16-18H,3-6H2,1-2H3,(H,34,35)(H,30,32,33)/t16?,17-,18-
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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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182098
PNG
(US9145391, 3-2 | US9145391, 3-3)
Show SMILES CC1CC(CCC1C(O)=O)Nc1ccc(cn1)-c1cc(C)cc(Nc2cc(ccn2)C(F)(F)F)n1
Show InChI InChI=1/C25H26F3N5O2/c1-14-9-20(32-23(10-14)33-22-12-17(7-8-29-22)25(26,27)28)16-3-6-21(30-13-16)31-18-4-5-19(24(34)35)15(2)11-18/h3,6-10,12-13,15,18-19H,4-5,11H2,1-2H3,(H,30,31)(H,34,35)(H,29,32,33)
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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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182067
PNG
(US9145391, 1-35)
Show SMILES CC1CC(CCC1C(O)=O)C(C)(O)c1ccc(cn1)-c1cc(C)cc(Nc2cc(ccn2)C(F)F)n1
Show InChI InChI=1/C27H30F2N4O3/c1-15-10-21(32-24(11-15)33-23-13-17(25(28)29)8-9-30-23)18-4-7-22(31-14-18)27(3,36)19-5-6-20(26(34)35)16(2)12-19/h4,7-11,13-14,16,19-20,25,36H,5-6,12H2,1-3H3,(H,34,35)(H,30,32,33)
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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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182065
PNG
(US9145391, 1-33)
Show SMILES CC(O)(C1CCC(CC1)C(O)=O)c1ccc(cn1)-c1cc(cc(Nc2cc(ccn2)C(F)F)n1)C1CC1
Show InChI InChI=1/C28H30F2N4O3/c1-28(37,21-7-4-17(5-8-21)27(35)36)23-9-6-19(15-32-23)22-12-20(16-2-3-16)14-25(33-22)34-24-13-18(26(29)30)10-11-31-24/h6,9-17,21,26,37H,2-5,7-8H2,1H3,(H,35,36)(H,31,33,34)
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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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182063
PNG
(US9145391, 1-31)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C(O)(C1CC1)C1CCC(CC1)C(O)=O
Show InChI InChI=1/C28H29F3N4O3/c1-16-12-22(34-25(13-16)35-24-14-21(10-11-32-24)28(29,30)31)18-4-9-23(33-15-18)27(38,20-7-8-20)19-5-2-17(3-6-19)26(36)37/h4,9-15,17,19-20,38H,2-3,5-8H2,1H3,(H,36,37)(H,32,34,35)
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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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182147
PNG
(US9145391, 4-44)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(NC2CCN(CC2)C(=O)c2ccc3cccnc3n2)nc1
Show InChI InChI=1S/C31H27F3N8O/c1-19-15-25(39-28(16-19)41-27-17-22(8-12-35-27)31(32,33)34)21-5-7-26(37-18-21)38-23-9-13-42(14-10-23)30(43)24-6-4-20-3-2-11-36-29(20)40-24/h2-8,11-12,15-18,23H,9-10,13-14H2,1H3,(H,37,38)(H,35,39,41)
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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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182240
PNG
(US9145391, 12)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1ccc(nc1)C(C)(O)[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1/C26H28F2N4O3/c1-15-11-20(31-23(12-15)32-22-13-17(24(27)28)9-10-29-22)18-5-8-21(30-14-18)26(2,35)19-6-3-16(4-7-19)25(33)34/h5,8-14,16,19,24,35H,3-4,6-7H2,1-2H3,(H,33,34)(H,29,31,32)/t16-,19-,26?
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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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182298
PNG
(US9145391, 12-2)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1ccc(C[C@H](O)C2CCC(CC2)C(O)=O)nc1
Show InChI InChI=1S/C26H28F2N4O3/c1-15-10-21(31-24(11-15)32-23-12-18(25(27)28)8-9-29-23)19-6-7-20(30-14-19)13-22(33)16-2-4-17(5-3-16)26(34)35/h6-12,14,16-17,22,25,33H,2-5,13H2,1H3,(H,34,35)(H,29,31,32)/t16?,17?,22-/m0/s1
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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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182241
PNG
(US9145391, 13)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1ccc(nc1)C(C)(F)[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1/C26H27F3N4O2/c1-15-11-20(32-23(12-15)33-22-13-17(24(27)28)9-10-30-22)18-5-8-21(31-14-18)26(2,29)19-6-3-16(4-7-19)25(34)35/h5,8-14,16,19,24H,3-4,6-7H2,1-2H3,(H,34,35)(H,30,32,33)/t16-,19-,26?
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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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182100
PNG
(US9145391, 3-4 | US9145391, 3-5)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(NC2CCC(C(O)=O)C(C)(C)C2)nc1
Show InChI InChI=1/C26H28F3N5O2/c1-15-10-20(33-23(11-15)34-22-12-17(8-9-30-22)26(27,28)29)16-4-7-21(31-14-16)32-18-5-6-19(24(35)36)25(2,3)13-18/h4,7-12,14,18-19H,5-6,13H2,1-3H3,(H,31,32)(H,35,36)(H,30,33,34)
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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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182244
PNG
(US9145391, 16)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1ccc(nc1)C(C)(O)[C@H]1CC[C@@H](CC1)C([O-])=O
Show InChI InChI=1/C26H28F2N4O3/c1-15-11-20(31-23(12-15)32-22-13-17(24(27)28)9-10-29-22)18-5-8-21(30-14-18)26(2,35)19-6-3-16(4-7-19)25(33)34/h5,8-14,16,19,24,35H,3-4,6-7H2,1-2H3,(H,33,34)(H,29,31,32)/p-1/t16-,19-,26?
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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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182038
PNG
(US9145391, 1)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C(C)(O)C1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1/C26H27F3N4O3/c1-15-11-20(32-23(12-15)33-22-13-19(9-10-30-22)26(27,28)29)17-5-8-21(31-14-17)25(2,36)18-6-3-16(4-7-18)24(34)35/h5,8-14,16,18,36H,3-4,6-7H2,1-2H3,(H,34,35)(H,30,32,33)/t16-,18?,25?
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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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182052
PNG
(US9145391, 1-20)
Show SMILES COC1CC(Cc2ccc(cn2)-c2cc(C)cc(Nc3cc(ccn3)C(F)(F)F)n2)CCC1C(O)=O
Show InChI InChI=1/C26H27F3N4O3/c1-15-9-21(32-24(10-15)33-23-13-18(7-8-30-23)26(27,28)29)17-4-5-19(31-14-17)11-16-3-6-20(25(34)35)22(12-16)36-2/h4-5,7-10,13-14,16,20,22H,3,6,11-12H2,1-2H3,(H,34,35)(H,30,32,33)
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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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182062
PNG
(US9145391, 1-30)
Show SMILES CCC(O)(C1CCC(CC1)C(O)=O)c1ccc(cn1)-c1cc(C)cc(Nc2cc(ccn2)C(F)(F)F)n1
Show InChI InChI=1/C27H29F3N4O3/c1-3-26(37,19-7-4-17(5-8-19)25(35)36)22-9-6-18(15-32-22)21-12-16(2)13-24(33-21)34-23-14-20(10-11-31-23)27(28,29)30/h6,9-15,17,19,37H,3-5,7-8H2,1-2H3,(H,35,36)(H,31,33,34)
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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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235861
PNG
(US9364482, 36)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CCN(Cc3ccc(F)cc3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H28F2N4O5S/c1-36-32(40)29-25-16-24(27(38(2)45(3,42)43)17-28(25)44-31(29)21-6-11-23(35)12-7-21)26-13-8-20-14-15-39(33(41)30(20)37-26)18-19-4-9-22(34)10-5-19/h4-13,16-17H,14-15,18H2,1-3H3,(H,36,40)
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n/an/a 0.527n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235836
PNG
(US9364482, 10)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(Cc3ccc(Cl)cc3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26ClFN4O6S/c1-35-31(39)28-23-14-22(25(37(2)45(3,41)42)15-27(23)44-30(28)19-6-10-21(34)11-7-19)24-12-13-26-29(36-24)32(40)38(17-43-26)16-18-4-8-20(33)9-5-18/h4-15H,16-17H2,1-3H3,(H,35,39)
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n/an/a 0.768n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235890
PNG
(US9364482, 71)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(OC)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27F2N5O6S/c1-36-32(41)29-24-15-23(26(39(2)47(4,43)44)16-27(24)46-31(29)19-7-11-22(35)12-8-19)20-13-25-30(28(14-20)45-3)37-38-40(33(25)42)17-18-5-9-21(34)10-6-18/h5-16H,17H2,1-4H3,(H,36,41)
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n/an/a 0.782n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3-NS4A Protease


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM235855
PNG
(US9364482, 29)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CN(Cc3ccc(F)cc3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26F2N4O5S/c1-35-31(39)28-24-14-23(25-13-8-20-17-38(32(40)29(20)36-25)16-18-4-9-21(33)10-5-18)26(37(2)44(3,41)42)15-27(24)43-30(28)19-6-11-22(34)12-7-19/h4-15H,16-17H2,1-3H3,(H,35,39)
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US Patent
n/an/a 0.886n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
NS3/4A protease


(Hepatitis C virus genotype 1a (strain H77) (HCV))
BDBM235856
PNG
(US9364482, 30)
Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2OCN(C(C)c3ccc(F)cc3)C(=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1/C33H28F2N4O6S/c1-18(19-5-9-21(34)10-6-19)39-17-44-27-14-13-25(37-30(27)33(39)41)23-15-24-28(16-26(23)38(3)46(4,42)43)45-31(29(24)32(40)36-2)20-7-11-22(35)12-8-20/h5-16,18H,17H2,1-4H3,(H,36,40)
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n/an/a 0.981n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...


US Patent US9364482 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PVB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182055
PNG
(US9145391, 1-23 | US9145391, 1-24 | US9145391, 1-2...)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C1(O)CCC(C(O)=O)C(C)(C)C1
Show InChI InChI=1/C26H27F3N4O3/c1-15-10-19(32-22(11-15)33-21-12-17(7-9-30-21)26(27,28)29)16-4-5-20(31-13-16)25(36)8-6-18(23(34)35)24(2,3)14-25/h4-5,7,9-13,18,36H,6,8,14H2,1-3H3,(H,34,35)(H,30,32,33)
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n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182107
PNG
(US9145391, 4-4)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(NC2CCN(CC2)C(=O)c2ccc3CNC(=O)c3c2)nc1
Show InChI InChI=1S/C31H28F3N7O2/c1-18-12-25(39-28(13-18)40-27-15-22(6-9-35-27)31(32,33)34)21-4-5-26(36-17-21)38-23-7-10-41(11-8-23)30(43)19-2-3-20-16-37-29(42)24(20)14-19/h2-6,9,12-15,17,23H,7-8,10-11,16H2,1H3,(H,36,38)(H,37,42)(H,35,39,40)
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n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182105
PNG
(US9145391, 4-2)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(NC2CCN(CC2)C(=O)Cc2ccc3ccn(C)c3c2)nc1
Show InChI InChI=1S/C33H32F3N7O/c1-21-15-27(40-31(16-21)41-30-19-25(7-11-37-30)33(34,35)36)24-5-6-29(38-20-24)39-26-9-13-43(14-10-26)32(44)18-22-3-4-23-8-12-42(2)28(23)17-22/h3-8,11-12,15-17,19-20,26H,9-10,13-14,18H2,1-2H3,(H,38,39)(H,37,40,41)
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n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182140
PNG
(US9145391, 4-37)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(NC2CCN(CC2)C(=O)c2cnn3cccnc23)nc1
Show InChI InChI=1S/C29H26F3N9O/c1-18-13-23(38-26(14-18)39-25-15-20(5-9-33-25)29(30,31)32)19-3-4-24(35-16-19)37-21-6-11-40(12-7-21)28(42)22-17-36-41-10-2-8-34-27(22)41/h2-5,8-10,13-17,21H,6-7,11-12H2,1H3,(H,35,37)(H,33,38,39)
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n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182180
PNG
(US9145391, 4-77)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(NC2CCN(CC2)C(=O)Cc2cccnc2)nc1
Show InChI InChI=1S/C29H28F3N7O/c1-19-13-24(37-27(14-19)38-26-16-22(6-10-34-26)29(30,31)32)21-4-5-25(35-18-21)36-23-7-11-39(12-8-23)28(40)15-20-3-2-9-33-17-20/h2-6,9-10,13-14,16-18,23H,7-8,11-12,15H2,1H3,(H,35,36)(H,34,37,38)
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n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182192
PNG
(US9145391, 4-89)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(NC2CCN(CC2)C(=O)CCCN2CCCC2=O)nc1
Show InChI InChI=1S/C30H34F3N7O2/c1-20-16-24(37-27(17-20)38-26-18-22(8-11-34-26)30(31,32)33)21-6-7-25(35-19-21)36-23-9-14-40(15-10-23)29(42)5-3-13-39-12-2-4-28(39)41/h6-8,11,16-19,23H,2-5,9-10,12-15H2,1H3,(H,35,36)(H,34,37,38)
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US Patent
n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182227
PNG
(US9145391, 5)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)N1CC[C@H](N)C1
Show InChI InChI=1/C21H21F3N6/c1-13-8-17(14-2-3-20(27-11-14)30-7-5-16(25)12-30)28-19(9-13)29-18-10-15(4-6-26-18)21(22,23)24/h2-4,6,8-11,16H,5,7,12,25H2,1H3,(H,26,28,29)/t16-/s2
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n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182238
PNG
(US9145391, 10)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(C[C@H]2CC[C@@H](CC2)C(O)=O)nc1
Show InChI InChI=1/C25H25F3N4O2/c1-15-10-21(31-23(11-15)32-22-13-19(8-9-29-22)25(26,27)28)18-6-7-20(30-14-18)12-16-2-4-17(5-3-16)24(33)34/h6-11,13-14,16-17H,2-5,12H2,1H3,(H,33,34)(H,29,31,32)/t16-,17-
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n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182297
PNG
(US9145391, 12-1)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1ccc(C[C@@H](O)[C@H]2CC[C@@H](CC2)C(O)=O)nc1
Show InChI InChI=1S/C26H28F2N4O3/c1-15-10-21(31-24(11-15)32-23-12-18(25(27)28)8-9-29-23)19-6-7-20(30-14-19)13-22(33)16-2-4-17(5-3-16)26(34)35/h6-12,14,16-17,22,25,33H,2-5,13H2,1H3,(H,34,35)(H,29,31,32)/t16-,17-,22-/m1/s1
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n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182299
PNG
(US9145391, 12-3)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1ccc(C[C@@H](O)C2CCC(CC2)C(O)=O)nc1
Show InChI InChI=1S/C26H28F2N4O3/c1-15-10-21(31-24(11-15)32-23-12-18(25(27)28)8-9-29-23)19-6-7-20(30-14-19)13-22(33)16-2-4-17(5-3-16)26(34)35/h6-12,14,16-17,22,25,33H,2-5,13H2,1H3,(H,34,35)(H,29,31,32)/t16?,17?,22-/m1/s1
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n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182243
PNG
(US9145391, 15)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)F)nc(-c2ccc(nc2)C(C)(O)[C@H]2CC[C@@H](CC2)C(O)=O)c1Br
Show InChI InChI=1/C26H27BrF2N4O3/c1-14-11-21(32-20-12-16(24(28)29)9-10-30-20)33-23(22(14)27)17-5-8-19(31-13-17)26(2,36)18-6-3-15(4-7-18)25(34)35/h5,8-13,15,18,24,36H,3-4,6-7H2,1-2H3,(H,34,35)(H,30,32,33)/t15-,18-,26?
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n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM60650
PNG
(US9145391, 23)
Show SMILES CN=C.Cc1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1ccc(nc1)C(C)(O)[C@H]1CC[C@H](CO)CC1
Show InChI InChI=1/C26H30F2N4O2.C2H5N/c1-16-11-21(31-24(12-16)32-23-13-18(25(27)28)9-10-29-23)19-5-8-22(30-14-19)26(2,34)20-6-3-17(15-33)4-7-20;1-3-2/h5,8-14,17,20,25,33-34H,3-4,6-7,15H2,1-2H3,(H,29,31,32);1H2,2H3/t17-,20-,26?;
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n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182050
PNG
(US9145391, 1-18)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C1(O)CCC(CC1)C(O)=O
Show InChI InChI=1S/C24H23F3N4O3/c1-14-10-18(30-21(11-14)31-20-12-17(6-9-28-20)24(25,26)27)16-2-3-19(29-13-16)23(34)7-4-15(5-8-23)22(32)33/h2-3,6,9-13,15,34H,4-5,7-8H2,1H3,(H,32,33)(H,28,30,31)
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n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182053
PNG
(US9145391, 1-21 | US9145391, 1-22)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C1(O)CCCc2cc(ccc12)C(O)=O
Show InChI InChI=1/C28H23F3N4O3/c1-16-11-22(34-25(12-16)35-24-14-20(8-10-32-24)28(29,30)31)19-5-7-23(33-15-19)27(38)9-2-3-17-13-18(26(36)37)4-6-21(17)27/h4-8,10-15,38H,2-3,9H2,1H3,(H,36,37)(H,32,34,35)
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n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182055
PNG
(US9145391, 1-23 | US9145391, 1-24 | US9145391, 1-2...)
Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C1(O)CCC(C(O)=O)C(C)(C)C1
Show InChI InChI=1/C26H27F3N4O3/c1-15-10-19(32-22(11-15)33-21-12-17(7-9-30-21)26(27,28)29)16-4-5-20(31-13-16)25(36)8-6-18(23(34)35)24(2,3)14-25/h4-5,7,9-13,18,36H,6,8,14H2,1-3H3,(H,34,35)(H,30,32,33)
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n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182059
PNG
(US9145391, 1-27)
Show SMILES Cc1cc(Nc2cc(c(F)cn2)C(C)(C)C)nc(c1)-c1ccc(nc1)C(C)(O)C1CCC(CC1)C(O)=O
Show InChI InChI=1/C29H35FN4O3/c1-17-12-23(33-26(13-17)34-25-14-21(28(2,3)4)22(30)16-32-25)19-8-11-24(31-15-19)29(5,37)20-9-6-18(7-10-20)27(35)36/h8,11-16,18,20,37H,6-7,9-10H2,1-5H3,(H,35,36)(H,32,33,34)
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n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182060
PNG
(US9145391, 1-28)
Show SMILES Cc1cc(Nc2cc(ccn2)C(C)(C)C)nc(c1)-c1ccc(nc1)C(C)(O)C1CCC(CC1)C(O)=O
Show InChI InChI=1/C29H36N4O3/c1-18-14-23(32-26(15-18)33-25-16-22(12-13-30-25)28(2,3)4)20-8-11-24(31-17-20)29(5,36)21-9-6-19(7-10-21)27(34)35/h8,11-17,19,21,36H,6-7,9-10H2,1-5H3,(H,34,35)(H,30,32,33)
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n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182061
PNG
(US9145391, 1-29)
Show SMILES Cc1cc(Nc2cc(OC(C)(C)C)ccn2)nc(c1)-c1ccc(nc1)C(C)(O)C1CCC(CC1)C(O)=O
Show InChI InChI=1/C29H36N4O4/c1-18-14-23(32-26(15-18)33-25-16-22(12-13-30-25)37-28(2,3)4)20-8-11-24(31-17-20)29(5,36)21-9-6-19(7-10-21)27(34)35/h8,11-17,19,21,36H,6-7,9-10H2,1-5H3,(H,34,35)(H,30,32,33)
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n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM182064
PNG
(US9145391, 1-32)
Show SMILES Cc1cc(Nc2cc(ccn2)C2CC2)nc(c1)-c1ccc(nc1)C(C)(O)C1CCC(CC1)C(O)=O
Show InChI InChI=1/C28H32N4O3/c1-17-13-23(31-26(14-17)32-25-15-20(11-12-29-25)18-3-4-18)21-7-10-24(30-16-21)28(2,35)22-8-5-19(6-9-22)27(33)34/h7,10-16,18-19,22,35H,3-6,8-9H2,1-2H3,(H,33,34)(H,29,31,32)
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n/an/a 1n/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 US9145391 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
More data for this
Ligand-Target Pair
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