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Compile Data Set for Download or QSAR

Found 472 hits of Enz. Inhib. data with enzyme = 'Coagulation factor X' and Substrate = 'BDBM12500'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (human))
BDBM12751
PNG
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)
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PubMed
0.0130 -14.7n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12396
PNG
(1-[5-(5-Chlorothiophen-2-yl)isoxazol-3-ylmethyl]-3...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(C#N)c2cccc(C)c2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C27H28ClN5O2S/c1-16(2)32-11-9-18(10-12-32)30-27(34)26-21(14-29)20-6-4-5-17(3)25(20)33(26)15-19-13-22(35-31-19)23-7-8-24(28)36-23/h4-8,13,16,18H,9-12,15H2,1-3H3,(H,30,34)
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0.0700n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM18991
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C31H31N5O4/c1-40-25-12-10-23(11-13-25)36-29-27(28(33-36)30(32)38)15-17-35(31(29)39)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-34-16-14-24(37)19-34/h2-13,24,37H,14-19H2,1H3,(H2,32,38)/t24-/m1/s1
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0.0700 -13.7n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19010
PNG
(6-(4-{2-[(diethylamino)methyl]phenyl}phenyl)-1-(4-...)
Show SMILES CCN(CC)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O
Show InChI InChI=1S/C31H33N5O3/c1-4-34(5-2)20-22-8-6-7-9-26(22)21-10-12-23(13-11-21)35-19-18-27-28(30(32)37)33-36(29(27)31(35)38)24-14-16-25(39-3)17-15-24/h6-17H,4-5,18-20H2,1-3H3,(H2,32,37)
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0.0800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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0.0800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM12389
PNG
(1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cccc([N+]([O-])=O)c2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H26ClN5O4S/c1-15(2)29-10-8-17(9-11-29)27-25(32)20-12-16-4-3-5-19(31(33)34)24(16)30(20)14-18-13-21(35-28-18)22-6-7-23(26)36-22/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H,27,32)
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0.100n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19008
PNG
(1-(4-methoxyphenyl)-6-(4-{2-[(methylamino)methyl]p...)
Show SMILES CNCc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O
Show InChI InChI=1S/C28H27N5O3/c1-30-17-19-5-3-4-6-23(19)18-7-9-20(10-8-18)32-16-15-24-25(27(29)34)31-33(26(24)28(32)35)21-11-13-22(36-2)14-12-21/h3-14,30H,15-17H2,1-2H3,(H2,29,34)
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12743
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F
Show InChI InChI=1S/C31H29F3N4O3/c1-41-25-12-10-23(11-13-25)38-28-27(29(35-38)31(32,33)34)15-17-37(30(28)40)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-36-16-14-24(39)19-36/h2-13,24,39H,14-19H2,1H3/t24-/m1/s1
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0.180 -13.2n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19020
PNG
(1-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O)C(F)(F)F
Show InChI InChI=1S/C25H23F3N4O3/c1-35-19-11-9-18(10-12-19)32-22-20(23(29-32)25(26,27)28)13-15-31(24(22)34)17-7-5-16(6-8-17)30-14-3-2-4-21(30)33/h5-12H,2-4,13-15H2,1H3
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0.230n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19009
PNG
(6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN(C)C
Show InChI InChI=1S/C29H29N5O3/c1-32(2)18-20-6-4-5-7-24(20)19-8-10-21(11-9-19)33-17-16-25-26(28(30)35)31-34(27(25)29(33)36)22-12-14-23(37-3)15-13-22/h4-15H,16-18H2,1-3H3,(H2,30,35)
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0.240n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM18988
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)S(C)(=O)=O
Show InChI InChI=1S/C31H32N4O5S/c1-40-26-13-11-24(12-14-26)35-29-28(30(32-35)41(2,38)39)16-18-34(31(29)37)23-9-7-21(8-10-23)27-6-4-3-5-22(27)19-33-17-15-25(36)20-33/h3-14,25,36H,15-20H2,1-2H3/t25-/m1/s1
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0.25 -13.0n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12387
PNG
(1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cccc(C)c2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C26H29ClN4O2S/c1-16(2)30-11-9-19(10-12-30)28-26(32)21-13-18-6-4-5-17(3)25(18)31(21)15-20-14-22(33-29-20)23-7-8-24(27)34-23/h4-8,13-14,16,19H,9-12,15H2,1-3H3,(H,28,32)
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0.25 -13.1n/an/an/an/an/a7.825



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19004
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(Cn2cncn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C33H33N7O3/c1-43-28-12-10-26(11-13-28)40-32-30(31(36-40)20-38-22-34-21-35-38)15-17-39(33(32)42)25-8-6-23(7-9-25)29-5-3-2-4-24(29)18-37-16-14-27(41)19-37/h2-13,21-22,27,41H,14-20H2,1H3/t27-/m1/s1
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0.25 -13.0n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19038
PNG
(1-(4-methoxyphenyl)-7-oxo-6-{1-[2-(pyrrolidin-1-yl...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN3CCCC3)C(=O)c12
Show InChI InChI=1S/C30H36N6O3/c1-39-24-10-8-23(9-11-24)36-28-25(27(32-36)29(31)37)14-19-35(30(28)38)22-12-17-34(18-13-22)26-7-3-2-6-21(26)20-33-15-4-5-16-33/h2-3,6-11,22H,4-5,12-20H2,1H3,(H2,31,37)
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0.260 -12.9n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


Bioorg Med Chem Lett 17: 1432-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.071
BindingDB Entry DOI: 10.7270/Q2KD1W5D
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19042
PNG
(6-(1-{2-[(diethylamino)methyl]phenyl}piperidin-4-y...)
Show SMILES CCN(CC)Cc1ccccc1N1CCC(CC1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O
Show InChI InChI=1S/C30H38N6O3/c1-4-33(5-2)20-21-8-6-7-9-26(21)34-17-14-22(15-18-34)35-19-16-25-27(29(31)37)32-36(28(25)30(35)38)23-10-12-24(39-3)13-11-23/h6-13,22H,4-5,14-20H2,1-3H3,(H2,31,37)
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0.260 -12.9n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


Bioorg Med Chem Lett 17: 1432-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.071
BindingDB Entry DOI: 10.7270/Q2KD1W5D
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19012
PNG
(6-(4-{2-[(4-hydroxypiperidin-1-yl)methyl]phenyl}ph...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CCC(O)CC1
Show InChI InChI=1S/C32H33N5O4/c1-41-26-12-10-24(11-13-26)37-30-28(29(34-37)31(33)39)16-19-36(32(30)40)23-8-6-21(7-9-23)27-5-3-2-4-22(27)20-35-17-14-25(38)15-18-35/h2-13,25,38H,14-20H2,1H3,(H2,33,39)
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0.290n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12395
PNG
(1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1c(C#N)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C26H26ClN5O2S/c1-16(2)31-11-9-17(10-12-31)29-26(33)25-20(14-28)19-5-3-4-6-21(19)32(25)15-18-13-22(34-30-18)23-7-8-24(27)35-23/h3-8,13,16-17H,9-12,15H2,1-2H3,(H,29,33)
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0.300n/an/an/an/an/an/an/an/a



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19011
PNG
(1-(4-methoxyphenyl)-7-oxo-6-{4-[2-(pyrrolidin-1-yl...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CCCC1
Show InChI InChI=1S/C31H31N5O3/c1-39-25-14-12-24(13-15-25)36-29-27(28(33-36)30(32)37)16-19-35(31(29)38)23-10-8-21(9-11-23)26-7-3-2-6-22(26)20-34-17-4-5-18-34/h2-3,6-15H,4-5,16-20H2,1H3,(H2,32,37)
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0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12657
PNG
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34)
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0.300 -12.9n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


Bioorg Med Chem Lett 17: 1432-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.071
BindingDB Entry DOI: 10.7270/Q2KD1W5D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (human))
BDBM18999
PNG
(3-(dimethylamino)-6-[4-(2-{[(3R)-3-hydroxypyrrolid...)
Show SMILES COc1ccc(cc1)-n1nc(N(C)C)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C32H35N5O3/c1-34(2)31-29-17-19-36(32(39)30(29)37(33-31)25-12-14-27(40-3)15-13-25)24-10-8-22(9-11-24)28-7-5-4-6-23(28)20-35-18-16-26(38)21-35/h4-15,26,38H,16-21H2,1-3H3/t26-/m1/s1
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0.310 -12.8n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM18994
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C31H29N5O3/c1-39-26-12-10-24(11-13-26)36-30-28(29(18-32)33-36)15-17-35(31(30)38)23-8-6-21(7-9-23)27-5-3-2-4-22(27)19-34-16-14-25(37)20-34/h2-13,25,37H,14-17,19-20H2,1H3/t25-/m1/s1
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0.330 -12.8n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM18982
PNG
(1-(1-aminoisoquinolin-7-yl)-3-methyl-N-[4-(2-sulfa...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccnc(N)c2c1
Show InChI InChI=1S/C26H22N6O3S/c1-16-14-23(32(31-16)20-11-8-18-12-13-29-25(27)22(18)15-20)26(33)30-19-9-6-17(7-10-19)21-4-2-3-5-24(21)36(28,34)35/h2-15H,1H3,(H2,27,29)(H,30,33)(H2,28,34,35)
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0.330 -12.8n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined ...


J Med Chem 46: 4405-18 (2003)


Article DOI: 10.1021/jm020578e
BindingDB Entry DOI: 10.7270/Q2TT4P78
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19036
PNG
(6-[1-(2-methanesulfonylphenyl)piperidin-4-yl]-1-(4...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3S(C)(=O)=O)C(=O)c12
Show InChI InChI=1S/C26H29N5O5S/c1-36-19-9-7-18(8-10-19)31-24-20(23(28-31)25(27)32)13-16-30(26(24)33)17-11-14-29(15-12-17)21-5-3-4-6-22(21)37(2,34)35/h3-10,17H,11-16H2,1-2H3,(H2,27,32)
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0.350 -12.8n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


Bioorg Med Chem Lett 17: 1432-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.071
BindingDB Entry DOI: 10.7270/Q2KD1W5D
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19013
PNG
(6-[4-(2-{[bis(2-hydroxyethyl)amino]methyl}phenyl)p...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN(CCO)CCO
Show InChI InChI=1S/C31H33N5O5/c1-41-25-12-10-24(11-13-25)36-29-27(28(33-36)30(32)39)14-15-35(31(29)40)23-8-6-21(7-9-23)26-5-3-2-4-22(26)20-34(16-18-37)17-19-38/h2-13,37-38H,14-20H2,1H3,(H2,32,39)
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0.360n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19037
PNG
(6-(1-{2-[(dimethylamino)methyl]phenyl}piperidin-4-...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN(C)C)C(=O)c12
Show InChI InChI=1S/C28H34N6O3/c1-31(2)18-19-6-4-5-7-24(19)32-15-12-20(13-16-32)33-17-14-23-25(27(29)35)30-34(26(23)28(33)36)21-8-10-22(37-3)11-9-21/h4-11,20H,12-18H2,1-3H3,(H2,29,35)
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0.410 -12.7n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


Bioorg Med Chem Lett 17: 1432-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.071
BindingDB Entry DOI: 10.7270/Q2KD1W5D
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19021
PNG
(1-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCCC1=O)C(F)(F)F
Show InChI InChI=1S/C26H25F3N4O3/c1-36-20-12-10-19(11-13-20)33-23-21(24(30-33)26(27,28)29)14-16-32(25(23)35)18-8-6-17(7-9-18)31-15-4-2-3-5-22(31)34/h6-13H,2-5,14-16H2,1H3
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0.470n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19003
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(Cn2nccn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C33H33N7O3/c1-43-28-12-10-26(11-13-28)40-32-30(31(36-40)22-39-34-16-17-35-39)15-19-38(33(32)42)25-8-6-23(7-9-25)29-5-3-2-4-24(29)20-37-18-14-27(41)21-37/h2-13,16-17,27,41H,14-15,18-22H2,1H3/t27-/m1/s1
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0.480 -12.6n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19017
PNG
(N-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N(C)C(C)=O)C(F)(F)F
Show InChI InChI=1S/C23H21F3N4O3/c1-14(31)28(2)15-4-6-16(7-5-15)29-13-12-19-20(22(29)32)30(27-21(19)23(24,25)26)17-8-10-18(33-3)11-9-17/h4-11H,12-13H2,1-3H3
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0.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19039
PNG
(1-(4-methoxyphenyl)-6-{1-[2-(morpholin-4-ylmethyl)...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C30H36N6O4/c1-39-24-8-6-23(7-9-24)36-28-25(27(32-36)29(31)37)12-15-35(30(28)38)22-10-13-34(14-11-22)26-5-3-2-4-21(26)20-33-16-18-40-19-17-33/h2-9,22H,10-20H2,1H3,(H2,31,37)
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0.570 -12.5n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


Bioorg Med Chem Lett 17: 1432-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.071
BindingDB Entry DOI: 10.7270/Q2KD1W5D
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19022
PNG
(1-(4-methoxyphenyl)-6-[4-(N-methylacetamido)phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N(C)C(C)=O
Show InChI InChI=1S/C23H23N5O4/c1-14(29)26(2)15-4-6-16(7-5-15)27-13-12-19-20(22(24)30)25-28(21(19)23(27)31)17-8-10-18(32-3)11-9-17/h4-11H,12-13H2,1-3H3,(H2,24,30)
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0.610n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19032
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-{1-[2-(pyrrolidi...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)NC1CCN(CC1)c1ccccc1CN1CCCC1)C(F)(F)F
Show InChI InChI=1S/C28H30F3N7O2/c29-28(30,31)25-16-23(38(34-25)20-7-8-24-21(15-20)26(32)35-40-24)27(39)33-19-9-13-37(14-10-19)22-6-2-1-5-18(22)17-36-11-3-4-12-36/h1-2,5-8,15-16,19H,3-4,9-14,17H2,(H2,32,35)(H,33,39)
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0.610 -12.4n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


Bioorg Med Chem Lett 17: 1432-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.071
BindingDB Entry DOI: 10.7270/Q2KD1W5D
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19001
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1nnn[nH]1
Show InChI InChI=1S/C31H30N8O3/c1-42-25-12-10-23(11-13-25)39-29-27(28(34-39)30-32-35-36-33-30)15-17-38(31(29)41)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-37-16-14-24(40)19-37/h2-13,24,40H,14-19H2,1H3,(H,32,33,35,36)/t24-/m1/s1
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0.630 -12.4n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19002
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(Cn2ccnn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C33H33N7O3/c1-43-28-12-10-26(11-13-28)40-32-30(31(35-40)22-38-19-16-34-36-38)15-18-39(33(32)42)25-8-6-23(7-9-25)29-5-3-2-4-24(29)20-37-17-14-27(41)21-37/h2-13,16,19,27,41H,14-15,17-18,20-22H2,1H3/t27-/m1/s1
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0.670 -12.4n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19034
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-(1-{2-[(methylam...)
Show SMILES CNCc1ccccc1N1CCC(CC1)NC(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N7O2/c1-30-14-15-4-2-3-5-19(15)34-10-8-16(9-11-34)31-24(36)20-13-22(25(26,27)28)32-35(20)17-6-7-21-18(12-17)23(29)33-37-21/h2-7,12-13,16,30H,8-11,14H2,1H3,(H2,29,33)(H,31,36)
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0.670 -12.4n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


Bioorg Med Chem Lett 17: 1432-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.071
BindingDB Entry DOI: 10.7270/Q2KD1W5D
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12384
PNG
(2-Carboxyindole Scaffold 35 | 7-Chloro-1-[5-(5-chl...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cccc(Cl)c2n1Cc1cc(on1)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H26Cl2N4O2S/c1-15(2)30-10-8-17(9-11-30)28-25(32)20-12-16-4-3-5-19(26)24(16)31(20)14-18-13-21(33-29-18)22-6-7-23(27)34-22/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H,28,32)
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0.700 -12.5n/an/an/an/an/a7.825



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19035
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-[1-(2-{[ethyl(me...)
Show SMILES CCN(C)Cc1ccccc1N1CCC(CC1)NC(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F
Show InChI InChI=1S/C27H30F3N7O2/c1-3-35(2)16-17-6-4-5-7-21(17)36-12-10-18(11-13-36)32-26(38)22-15-24(27(28,29)30)33-37(22)19-8-9-23-20(14-19)25(31)34-39-23/h4-9,14-15,18H,3,10-13,16H2,1-2H3,(H2,31,34)(H,32,38)
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0.700 -12.4n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


Bioorg Med Chem Lett 17: 1432-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.071
BindingDB Entry DOI: 10.7270/Q2KD1W5D
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19033
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-[1-(2-{[(2R)-2-h...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)NC1CCN(CC1)c1ccccc1CN1CCC[C@H]1O)C(F)(F)F
Show InChI InChI=1S/C28H30F3N7O3/c29-28(30,31)24-15-22(38(34-24)19-7-8-23-20(14-19)26(32)35-41-23)27(40)33-18-9-12-36(13-10-18)21-5-2-1-4-17(21)16-37-11-3-6-25(37)39/h1-2,4-5,7-8,14-15,18,25,39H,3,6,9-13,16H2,(H2,32,35)(H,33,40)/t25-/m1/s1
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0.730 -12.3n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


Bioorg Med Chem Lett 17: 1432-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.071
BindingDB Entry DOI: 10.7270/Q2KD1W5D
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19005
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(Cn2cnnn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C32H32N8O3/c1-43-27-12-10-25(11-13-27)40-31-29(30(34-40)20-38-21-33-35-36-38)15-17-39(32(31)42)24-8-6-22(7-9-24)28-5-3-2-4-23(28)18-37-16-14-26(41)19-37/h2-13,21,26,41H,14-20H2,1H3/t26-/m1/s1
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0.850 -12.2n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19040
PNG
(6-[1-(2-{[(2S)-2-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN3CCC[C@@H]3O)C(=O)c12
Show InChI InChI=1S/C30H36N6O4/c1-40-23-10-8-22(9-11-23)36-28-24(27(32-36)29(31)38)14-18-35(30(28)39)21-12-16-33(17-13-21)25-6-3-2-5-20(25)19-34-15-4-7-26(34)37/h2-3,5-6,8-11,21,26,37H,4,7,12-19H2,1H3,(H2,31,38)/t26-/m0/s1
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0.870 -12.2n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


Bioorg Med Chem Lett 17: 1432-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.071
BindingDB Entry DOI: 10.7270/Q2KD1W5D
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19007
PNG
(6-{4-[2-(aminomethyl)phenyl]phenyl}-1-(4-methoxyph...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN
Show InChI InChI=1S/C27H25N5O3/c1-35-21-12-10-20(11-13-21)32-25-23(24(30-32)26(29)33)14-15-31(27(25)34)19-8-6-17(7-9-19)22-5-3-2-4-18(22)16-28/h2-13H,14-16,28H2,1H3,(H2,29,33)
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0.970n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM15867
PNG
(1-{[(5-chloropyridin-2-yl)carbamoyl]methyl}-N-[1-(...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C24H28ClN5O2/c1-16(2)29-11-9-19(10-12-29)27-24(32)21-13-17-5-3-4-6-20(17)30(21)15-23(31)28-22-8-7-18(25)14-26-22/h3-8,13-14,16,19H,9-12,15H2,1-2H3,(H,27,32)(H,26,28,31)
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1 -12.3n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


Bioorg Med Chem Lett 14: 4191-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.020
BindingDB Entry DOI: 10.7270/Q22805WQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12381
PNG
(1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]...)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cc(ccc2n1Cc1cc(on1)-c1ccc(Cl)s1)[N+]([O-])=O
Show InChI InChI=1S/C25H26ClN5O4S/c1-15(2)29-9-7-17(8-10-29)27-25(32)21-12-16-11-19(31(33)34)3-4-20(16)30(21)14-18-13-22(35-28-18)23-5-6-24(26)36-23/h3-6,11-13,15,17H,7-10,14H2,1-2H3,(H,27,32)
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1 -12.3n/an/an/an/an/a7.825



Aventis Pharma



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12544
PNG
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)
Show SMILES CC(C)N(CCN1CCOCC1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C28H38ClN5O6S/c1-19(2)32(11-10-31-12-14-40-15-13-31)27(36)20(3)33-9-8-25(28(33)37)34(18-26(30)35)41(38,39)24-7-5-21-16-23(29)6-4-22(21)17-24/h4-7,16-17,19-20,25H,8-15,18H2,1-3H3,(H2,30,35)/t20-,25-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12543
PNG
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)
Show SMILES CC(C)N(CCN1CCCCC1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C29H40ClN5O5S/c1-20(2)33(16-15-32-12-5-4-6-13-32)28(37)21(3)34-14-11-26(29(34)38)35(19-27(31)36)41(39,40)25-10-8-22-17-24(30)9-7-23(22)18-25/h7-10,17-18,20-21,26H,4-6,11-16,19H2,1-3H3,(H2,31,36)/t21-,26-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12542
PNG
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)
Show SMILES CC(C)N(CCNS(C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C25H34ClN5O7S2/c1-16(2)29(12-10-28-39(4,35)36)24(33)17(3)30-11-9-22(25(30)34)31(15-23(27)32)40(37,38)21-8-6-18-13-20(26)7-5-19(18)14-21/h5-8,13-14,16-17,22,28H,9-12,15H2,1-4H3,(H2,27,32)/t17-,22-/m0/s1
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<1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12541
PNG
((2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-{2-[(6-...)
Show SMILES CC(C)N(CCNC(N)=O)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C25H33ClN6O6S/c1-15(2)30(11-9-29-25(28)36)23(34)16(3)31-10-8-21(24(31)35)32(14-22(27)33)39(37,38)20-7-5-17-12-19(26)6-4-18(17)13-20/h4-7,12-13,15-16,21H,8-11,14H2,1-3H3,(H2,27,33)(H3,28,29,36)/t16-,21-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM19041
PNG
(1-(4-methoxyphenyl)-6-(1-{2-[(methylamino)methyl]p...)
Show SMILES CNCc1ccccc1N1CCC(CC1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O
Show InChI InChI=1S/C27H32N6O3/c1-29-17-18-5-3-4-6-23(18)31-14-11-19(12-15-31)32-16-13-22-24(26(28)34)30-33(25(22)27(32)35)20-7-9-21(36-2)10-8-20/h3-10,19,29H,11-17H2,1-2H3,(H2,28,34)
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1 -12.1n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


Bioorg Med Chem Lett 17: 1432-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.071
BindingDB Entry DOI: 10.7270/Q2KD1W5D
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12557
PNG
(6-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(piperidin-...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20-/m0/s1
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1 -12.3n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12569
PNG
(GTC000006A | N-(6-chloronaphthalen-2-yl)-N'-[(3S)-...)
Show SMILES CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H30ClN3O6S/c1-3-21(30)16-29(36(33,34)22-7-5-18-14-20(26)6-4-19(18)15-22)23-8-9-28(25(23)32)17(2)24(31)27-10-12-35-13-11-27/h4-7,14-15,17,23H,3,8-13,16H2,1-2H3/t17-,23-/m0/s1
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1 -12.3n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12545
PNG
((2S)-N-[2-(1H-azepin-1-yl)ethyl]-2-[(3S)-3-{2-[(6-...)
Show SMILES CC(C)N(CCN1C=CC=CC=C1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C30H36ClN5O5S/c1-21(2)34(17-16-33-13-6-4-5-7-14-33)29(38)22(3)35-15-12-27(30(35)39)36(20-28(32)37)42(40,41)26-11-9-23-18-25(31)10-8-24(23)19-26/h4-11,13-14,18-19,21-22,27H,12,15-17,20H2,1-3H3,(H2,32,37)/t22-,27-/m0/s1
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<1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
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