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Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'zhang' and Initial = 'gq'   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50234138
PNG
(CHEMBL4084635)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@@]1(O[C@H]2[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](OC)O[C@@H]2COS([O-])(=O)=O)O[C@@H](C([O-])=O)[C@@]([H])(O[C@@H]2O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]3O[C@H](C([O-])=O)[C@@]([H])(O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]4NS([O-])(=O)=O)[C@H](O)[C@H]3O)[C@H](OS([O-])(=O)=O)[C@H]2NS([O-])(=O)=O)[C@H](O)[C@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C31H53N3O49S8.10Na/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56;;;;;;;;;;/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;;;;;;;/q;10*+1/p-10/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29+,30-,31-;;;;;;;;;;/m1........../s1
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n/an/a 0.978n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using S-2765 as substrate preincubated with AT-3 followed by factor 10a addition for 60 secs and subsequent...


Eur J Med Chem 126: 1039-1055 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.004
BindingDB Entry DOI: 10.7270/Q2Z321W5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50234135
PNG
(CHEMBL4072190)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@@]1(O[C@H]2[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](OC)O[C@@H]2COS([O-])(=O)=O)O[C@@H](C([O-])=O)[C@@]([H])(O[C@@H]2O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]3O[C@H](C([O-])=O)[C@@]([H])(O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]4NC=O)[C@H](O)[C@H]3O)[C@H](OS([O-])(=O)=O)[C@H]2NS([O-])(=O)=O)[C@H](O)[C@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C32H53N3O47S7.9Na/c1-68-28-10(34-83(47,48)49)14(39)18(7(73-28)3-70-86(56,57)58)75-32-23(82-89(65,66)67)17(42)22(25(80-32)27(45)46)78-30-11(35-84(50,51)52)20(81-88(62,63)64)19(8(74-30)4-71-87(59,60)61)76-31-16(41)15(40)21(24(79-31)26(43)44)77-29-9(33-5-36)13(38)12(37)6(72-29)2-69-85(53,54)55;;;;;;;;;/h5-25,28-32,34-35,37-42H,2-4H2,1H3,(H,33,36)(H,43,44)(H,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;;;;;;/q;9*+1/p-9/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18-,19-,20-,21+,22+,23-,24+,25-,28+,29-,30+,31-,32-;;;;;;;;;/m1........./s1
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n/an/a 1.14n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using S-2765 as substrate preincubated with AT-3 followed by factor 10a addition for 60 secs and subsequent...


Eur J Med Chem 126: 1039-1055 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.004
BindingDB Entry DOI: 10.7270/Q2Z321W5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50234131
PNG
(CHEMBL4081127)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@@]1(O[C@H]2[C@H](O)[C@H]([C@@H](OC)O[C@@H]2COS([O-])(=O)=O)N(C)S([O-])(=O)=O)O[C@@H](C([O-])=O)[C@@]([H])(O[C@@H]2O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]3O[C@H](C([O-])=O)[C@@]([H])(O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]4NS([O-])(=O)=O)[C@H](O)[C@H]3O)[C@H](OS([O-])(=O)=O)[C@H]2NS([O-])(=O)=O)[C@H](O)[C@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C32H55N3O49S8.10Na/c1-35(87(52,53)54)11-14(38)18(7(76-30(11)70-2)4-72-89(58,59)60)77-32-23(84-92(67,68)69)17(41)22(25(82-32)27(44)45)80-29-10(34-86(49,50)51)20(83-91(64,65)66)19(8(75-29)5-73-90(61,62)63)78-31-16(40)15(39)21(24(81-31)26(42)43)79-28-9(33-85(46,47)48)13(37)12(36)6(74-28)3-71-88(55,56)57;;;;;;;;;;/h6-25,28-34,36-41H,3-5H2,1-2H3,(H,42,43)(H,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;;;;;;;/q;10*+1/p-10/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18-,19-,20-,21+,22+,23-,24+,25-,28-,29+,30+,31-,32-;;;;;;;;;;/m1........../s1
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n/an/a 1.65n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using S-2765 as substrate preincubated with AT-3 followed by factor 10a addition for 60 secs and subsequent...


Eur J Med Chem 126: 1039-1055 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.004
BindingDB Entry DOI: 10.7270/Q2Z321W5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50234136
PNG
(CHEMBL4082681)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC.[H][C@@]1(O[C@H]2[C@H](O)[C@@H](NS([O-])(=O)=O)[C@H](OC)O[C@@H]2COS([O-])(=O)=O)O[C@@H](C([O-])=O)[C@@]([H])(O[C@@H]2O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]3O[C@H](C([O-])=O)[C@@]([H])(O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]4NS([O-])(=O)=O)[C@H](O)[C@H]3O)[C@H](OS([O-])(=O)=O)[C@H]2NS([O-])(=O)=O)[C@H](O)[C@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C31H53N3O49S8.C2H6.10Na/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56;1-2;;;;;;;;;;/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);1-2H3;;;;;;;;;;/q;;10*+1/p-10/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27-,28-,29+,30-,31-;;;;;;;;;;;/m1.........../s1
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n/an/a 3n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using S-2765 as substrate preincubated with AT-3 followed by factor 10a addition for 60 secs and subsequent...


Eur J Med Chem 126: 1039-1055 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.004
BindingDB Entry DOI: 10.7270/Q2Z321W5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50234139
PNG
(CHEMBL4100670)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@@]1(O[C@H]2[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](OC)O[C@@H]2COS([O-])(=O)=O)O[C@@H](C([O-])=O)[C@@]([H])(O[C@@H]2O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]3O[C@H](C([O-])=O)[C@@]([H])(O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]4NS([O-])(=O)=O)[C@H](O)[C@H]3O)[C@H](OS([O-])(=O)=O)[C@H]2NS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C31H53N3O52S9.11Na/c1-71-27-9(33-88(47,48)49)13(37)16(6(76-27)3-73-91(56,57)58)78-31-24(86-95(68,69)70)21(85-94(65,66)67)20(23(83-31)26(42)43)81-29-10(34-89(50,51)52)18(84-93(62,63)64)17(7(77-29)4-74-92(59,60)61)79-30-15(39)14(38)19(22(82-30)25(40)41)80-28-8(32-87(44,45)46)12(36)11(35)5(75-28)2-72-90(53,54)55;;;;;;;;;;;/h5-24,27-39H,2-4H2,1H3,(H,40,41)(H,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70);;;;;;;;;;;/q;11*+1/p-11/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,27+,28-,29+,30-,31-;;;;;;;;;;;/m1.........../s1
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n/an/a 9.25n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using S-2765 as substrate preincubated with AT-3 followed by factor 10a addition for 60 secs and subsequent...


Eur J Med Chem 126: 1039-1055 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.004
BindingDB Entry DOI: 10.7270/Q2Z321W5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50234132
PNG
(CHEMBL4085202)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@@]1(O[C@H]2[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](OC)O[C@@H]2COS([O-])(=O)=O)O[C@@]2([H])C(=O)N[C@]3([H])[C@@H](OS([O-])(=O)=O)[C@]([H])(O[C@@H]4O[C@H](C([O-])=O)[C@@]([H])(O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]5NS([O-])(=O)=O)[C@H](O)[C@H]4O)[C@@H](COS([O-])(=O)=O)O[C@@]3([H])O[C@]2([H])[C@H](O)[C@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C31H51N3O45S7.8Na/c1-65-27-9(34-81(47,48)49)13(37)17(6(70-27)3-67-83(53,54)55)72-31-22(79-86(62,63)64)16(40)21-23(76-31)25(41)32-10-19(78-85(59,60)61)18(7(71-29(10)75-21)4-68-84(56,57)58)73-30-15(39)14(38)20(24(77-30)26(42)43)74-28-8(33-80(44,45)46)12(36)11(35)5(69-28)2-66-82(50,51)52;;;;;;;;/h5-24,27-31,33-40H,2-4H2,1H3,(H,32,41)(H,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;;;;;/q;8*+1/p-8/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21-,22-,23-,24+,27+,28-,29+,30-,31-;;;;;;;;/m1......../s1
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n/an/a 19.9n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using S-2765 as substrate preincubated with AT-3 followed by factor 10a addition for 60 secs and subsequent...


Eur J Med Chem 126: 1039-1055 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.004
BindingDB Entry DOI: 10.7270/Q2Z321W5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50234137
PNG
(CHEMBL4074954)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC.[H][C@@]1(O[C@@H]2[C@H](O)[C@@H](CO)O[C@@H]2CS([O-])(=O)=O)O[C@@H](C([O-])=O)[C@@]([H])(O[C@@H]2O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]3O[C@H](C([O-])=O)[C@@]([H])(O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]4NS([O-])(=O)=O)[C@H](O)[C@H]3O)[C@H](OS([O-])(=O)=O)[C@H]2NS([O-])(=O)=O)[C@H](O)[C@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C30H50N2O45S7.C2H6.9Na/c33-1-5-12(35)17(8(67-5)4-78(44,45)46)70-30-22(77-84(62,63)64)16(39)21(24(75-30)26(42)43)73-28-10(32-80(50,51)52)19(76-83(59,60)61)18(7(69-28)3-66-82(56,57)58)71-29-15(38)14(37)20(23(74-29)25(40)41)72-27-9(31-79(47,48)49)13(36)11(34)6(68-27)2-65-81(53,54)55;1-2;;;;;;;;;/h5-24,27-39H,1-4H2,(H,40,41)(H,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);1-2H3;;;;;;;;;/q;;9*+1/p-9/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18-,19-,20+,21+,22-,23+,24-,27-,28+,29-,30-;;;;;;;;;;/m1........../s1
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n/an/a 20.7n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using S-2765 as substrate preincubated with AT-3 followed by factor 10a addition for 60 secs and subsequent...


Eur J Med Chem 126: 1039-1055 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.004
BindingDB Entry DOI: 10.7270/Q2Z321W5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50234134
PNG
(CHEMBL4092946)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@@]1(O[C@H]2[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](OC)O[C@@H]2COS([O-])(=O)=O)O[C@@H](C([O-])=O)[C@@]([H])(O[C@@H]2O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]3O[C@H](C([O-])=O)[C@@]([H])(O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]4NS([O-])(=O)=O)[C@H](O)[C@H]3O)[C@H](OS([O-])(=O)=O)[C@H]2N)[C@H](O)[C@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C31H53N3O46S7.9Na/c1-66-28-10(34-82(48,49)50)13(37)17(6(72-28)3-68-84(54,55)56)73-31-22(80-87(63,64)65)16(40)21(24(78-31)26(43)44)75-27-8(32)19(79-86(60,61)62)18(7(71-27)4-69-85(57,58)59)74-30-15(39)14(38)20(23(77-30)25(41)42)76-29-9(33-81(45,46)47)12(36)11(35)5(70-29)2-67-83(51,52)53;;;;;;;;;/h5-24,27-31,33-40H,2-4,32H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65);;;;;;;;;/q;9*+1/p-9/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28+,29-,30-,31-;;;;;;;;;/m1........./s1
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n/an/a 493n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using S-2765 as substrate preincubated with AT-3 followed by factor 10a addition for 60 secs and subsequent...


Eur J Med Chem 126: 1039-1055 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.004
BindingDB Entry DOI: 10.7270/Q2Z321W5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50234133
PNG
(CHEMBL4087128)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@@]1(O[C@H]2[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](OC)O[C@@H]2COS([O-])(=O)=O)O[C@@H](C([O-])=O)[C@@]([H])(O[C@@H]2O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]3O[C@H](C([O-])=O)[C@@]([H])(O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]4N)[C@H](O)[C@H]3O)[C@H](OS([O-])(=O)=O)[C@H]2N)[C@H](O)[C@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C31H53N3O43S6.8Na/c1-63-29-10(34-78(45,46)47)13(37)17(6(69-29)3-65-80(51,52)53)70-31-22(77-83(60,61)62)16(40)21(24(75-31)26(43)44)73-28-9(33)19(76-82(57,58)59)18(7(68-28)4-66-81(54,55)56)71-30-15(39)14(38)20(23(74-30)25(41)42)72-27-8(32)12(36)11(35)5(67-27)2-64-79(48,49)50;;;;;;;;/h5-24,27-31,34-40H,2-4,32-33H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;;;/q;8*+1/p-8/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27-,28+,29+,30-,31-;;;;;;;;/m1......../s1
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n/an/a 966n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin) using S-2765 as substrate preincubated with AT-3 followed by factor 10a addition for 60 secs and subsequent...


Eur J Med Chem 126: 1039-1055 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.004
BindingDB Entry DOI: 10.7270/Q2Z321W5
More data for this
Ligand-Target Pair