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63 similar compounds to monomer 19020

Compile data set for download or QSAR
Wt: 562.5
BDBM12743
Wt: 541.5
BDBM12746
Wt: 515.5
BDBM12732
Wt: 533.5
BDBM12733
Wt: 505.5
BDBM12735
Wt: 547.5
BDBM12736
Wt: 518.5
BDBM12739
Wt: 520.5
BDBM12740
Wt: 402.3
BDBM19014
Wt: 444.4
BDBM19015
Wt: 416.3
BDBM19016
Wt: 458.4
BDBM19017
Wt: 430.4
BDBM19018
Wt: 470.4
BDBM19019
Wt: 498.4
BDBM19021
Displayed 1 to 15 (of 63 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 12743,12746,12732,12733,12735,12736,12739,12740,19014,19015,19016,19017,19018,19019,19021   
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))
BDBM12733
PNG
(3-[6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-7...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1cccc(c1)C(N)=O)C(F)(F)F
Show InChI InChI=1S/C29H26F3N5O2/c1-35(2)17-20-6-3-4-9-23(20)18-10-12-21(13-11-18)36-15-14-24-25(28(36)39)37(34-26(24)29(30,31)32)22-8-5-7-19(16-22)27(33)38/h3-13,16H,14-15,17H2,1-2H3,(H2,33,38)
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0.180n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


J Med Chem 53: 6243-74 (2010)


Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12746
PNG
(6-[4-(2-methanesulfonylphenyl)phenyl]-1-(4-methoxy...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C27H22F3N3O4S/c1-37-20-13-11-19(12-14-20)33-24-22(25(31-33)27(28,29)30)15-16-32(26(24)34)18-9-7-17(8-10-18)21-5-3-4-6-23(21)38(2,35)36/h3-14H,15-16H2,1-2H3
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0.180 -13.2n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



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 16: 5584-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.027
BindingDB Entry DOI: 10.7270/Q2Z899NQ
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))
BDBM12733
PNG
(3-[6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-7...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1cccc(c1)C(N)=O)C(F)(F)F
Show InChI InChI=1S/C29H26F3N5O2/c1-35(2)17-20-6-3-4-9-23(20)18-10-12-21(13-11-18)36-15-14-24-25(28(36)39)37(34-26(24)29(30,31)32)22-8-5-7-19(16-22)27(33)38/h3-13,16H,14-15,17H2,1-2H3,(H2,33,38)
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0.180 -13.2n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



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 16: 5584-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.027
BindingDB Entry DOI: 10.7270/Q2Z899NQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12746
PNG
(6-[4-(2-methanesulfonylphenyl)phenyl]-1-(4-methoxy...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C27H22F3N3O4S/c1-37-20-13-11-19(12-14-20)33-24-22(25(31-33)27(28,29)30)15-16-32(26(24)34)18-9-7-17(8-10-18)21-5-3-4-6-23(21)38(2,35)36/h3-14H,15-16H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12740
PNG
(6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN(C)C)C(F)(F)F
Show InChI InChI=1S/C29H27F3N4O2/c1-34(2)18-20-6-4-5-7-24(20)19-8-10-21(11-9-19)35-17-16-25-26(28(35)37)36(33-27(25)29(30,31)32)22-12-14-23(38-3)15-13-22/h4-15H,16-18H2,1-3H3
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0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12740
PNG
(6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN(C)C)C(F)(F)F
Show InChI InChI=1S/C29H27F3N4O2/c1-34(2)18-20-6-4-5-7-24(20)19-8-10-21(11-9-19)35-17-16-25-26(28(35)37)36(33-27(25)29(30,31)32)22-12-14-23(38-3)15-13-22/h4-15H,16-18H2,1-3H3
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0.350 -12.8n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



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 16: 5584-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.027
BindingDB Entry DOI: 10.7270/Q2Z899NQ
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))
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))
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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0.501n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
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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0.760 -12.3n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



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 16: 5584-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.027
BindingDB Entry DOI: 10.7270/Q2Z899NQ
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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0.760n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 4118-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.095
BindingDB Entry DOI: 10.7270/Q20Z7322
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12735
PNG
(1-(3-aminophenyl)-6-(4-{2-[(dimethylamino)methyl]p...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1cccc(N)c1)C(F)(F)F
Show InChI InChI=1S/C28H26F3N5O/c1-34(2)17-19-6-3-4-9-23(19)18-10-12-21(13-11-18)35-15-14-24-25(27(35)37)36(33-26(24)28(29,30)31)22-8-5-7-20(32)16-22/h3-13,16H,14-15,17,32H2,1-2H3
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2 -11.7n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



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 16: 5584-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.027
BindingDB Entry DOI: 10.7270/Q2Z899NQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19019
PNG
(1-(4-methoxyphenyl)-6-[4-(piperidin-1-yl)phenyl]-3...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4O2/c1-34-20-11-9-19(10-12-20)32-22-21(23(29-32)25(26,27)28)13-16-31(24(22)33)18-7-5-17(6-8-18)30-14-3-2-4-15-30/h5-12H,2-4,13-16H2,1H3
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2.10n/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))
BDBM12739
PNG
(6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4...)
Show SMILES CCc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN(C)C)C(F)(F)F
Show InChI InChI=1S/C30H29F3N4O/c1-4-20-9-13-24(14-10-20)37-27-26(28(34-37)30(31,32)33)17-18-36(29(27)38)23-15-11-21(12-16-23)25-8-6-5-7-22(25)19-35(2)3/h5-16H,4,17-19H2,1-3H3
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2.60 -11.6n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



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 16: 5584-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.027
BindingDB Entry DOI: 10.7270/Q2Z899NQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19018
PNG
(6-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-3-...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N(C)C)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O2/c1-27(2)14-4-6-15(7-5-14)28-13-12-18-19(21(28)30)29(26-20(18)22(23,24)25)16-8-10-17(31-3)11-9-16/h4-11H,12-13H2,1-3H3
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6n/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))
BDBM19018
PNG
(6-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-3-...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N(C)C)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O2/c1-27(2)14-4-6-15(7-5-14)28-13-12-18-19(21(28)30)29(26-20(18)22(23,24)25)16-8-10-17(31-3)11-9-16/h4-11H,12-13H2,1-3H3
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6.31n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12732
PNG
(3-[6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-7...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C29H24F3N5O/c1-35(2)18-21-7-3-4-9-24(21)20-10-12-22(13-11-20)36-15-14-25-26(28(36)38)37(34-27(25)29(30,31)32)23-8-5-6-19(16-23)17-33/h3-13,16H,14-15,18H2,1-2H3
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12 -10.7n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



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 16: 5584-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.027
BindingDB Entry DOI: 10.7270/Q2Z899NQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12736
PNG
(N-{3-[6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1cccc(NC(C)=O)c1)C(F)(F)F
Show InChI InChI=1S/C30H28F3N5O2/c1-19(39)34-22-8-6-9-24(17-22)38-27-26(28(35-38)30(31,32)33)15-16-37(29(27)40)23-13-11-20(12-14-23)25-10-5-4-7-21(25)18-36(2)3/h4-14,17H,15-16,18H2,1-3H3,(H,34,39)
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88 -9.52n/an/an/an/an/a7.022



Bristol-Myers Squibb Pharmaceutical Research Institute



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 16: 5584-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.027
BindingDB Entry DOI: 10.7270/Q2Z899NQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19015
PNG
(N-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(NC(C)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O3/c1-13(30)26-14-3-5-15(6-4-14)28-12-11-18-19(21(28)31)29(27-20(18)22(23,24)25)16-7-9-17(32-2)10-8-16/h3-10H,11-12H2,1-2H3,(H,26,30)
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180n/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))
BDBM19015
PNG
(N-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(NC(C)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O3/c1-13(30)26-14-3-5-15(6-4-14)28-12-11-18-19(21(28)31)29(27-20(18)22(23,24)25)16-7-9-17(32-2)10-8-16/h3-10H,11-12H2,1-2H3,(H,26,30)
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200n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Thrombin and 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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330n/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))
BDBM19016
PNG
(1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(t...)
Show SMILES CNc1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(F)(F)F
Show InChI InChI=1S/C21H19F3N4O2/c1-25-13-3-5-14(6-4-13)27-12-11-17-18(20(27)29)28(26-19(17)21(22,23)24)15-7-9-16(30-2)10-8-15/h3-10,25H,11-12H2,1-2H3
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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))
BDBM19014
PNG
(6-(4-aminophenyl)-1-(4-methoxyphenyl)-3-(trifluoro...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(N)cc1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N4O2/c1-29-15-8-6-14(7-9-15)27-17-16(18(25-27)20(21,22)23)10-11-26(19(17)28)13-4-2-12(24)3-5-13/h2-9H,10-11,24H2,1H3
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1.58E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19014
PNG
(6-(4-aminophenyl)-1-(4-methoxyphenyl)-3-(trifluoro...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(N)cc1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N4O2/c1-29-15-8-6-14(7-9-15)27-17-16(18(25-27)20(21,22)23)10-11-26(19(17)28)13-4-2-12(24)3-5-13/h2-9H,10-11,24H2,1H3
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1.60E+3n/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
Thrombin and 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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3.30E+3n/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM19019
PNG
(1-(4-methoxyphenyl)-6-[4-(piperidin-1-yl)phenyl]-3...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4O2/c1-34-20-11-9-19(10-12-20)32-22-21(23(29-32)25(26,27)28)13-16-31(24(22)33)18-7-5-17(6-8-18)30-14-3-2-4-15-30/h5-12H,2-4,13-16H2,1H3
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3.90E+3n/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
Thrombin and 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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>6.30E+3n/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM19015
PNG
(N-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(NC(C)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O3/c1-13(30)26-14-3-5-15(6-4-14)28-12-11-18-19(21(28)31)29(27-20(18)22(23,24)25)16-7-9-17(32-2)10-8-16/h3-10H,11-12H2,1-2H3,(H,26,30)
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>6.30E+3n/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM19014
PNG
(6-(4-aminophenyl)-1-(4-methoxyphenyl)-3-(trifluoro...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(N)cc1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N4O2/c1-29-15-8-6-14(7-9-15)27-17-16(18(25-27)20(21,22)23)10-11-26(19(17)28)13-4-2-12(24)3-5-13/h2-9H,10-11,24H2,1H3
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>6.30E+3n/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM19016
PNG
(1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(t...)
Show SMILES CNc1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(F)(F)F
Show InChI InChI=1S/C21H19F3N4O2/c1-25-13-3-5-14(6-4-13)27-12-11-17-18(20(27)29)28(26-19(17)21(22,23)24)15-7-9-16(30-2)10-8-15/h3-10,25H,11-12H2,1-2H3
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>6.30E+3n/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM19018
PNG
(6-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-3-...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N(C)C)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O2/c1-27(2)14-4-6-15(7-5-14)28-13-12-18-19(21(28)30)29(26-20(18)22(23,24)25)16-8-10-17(31-3)11-9-16/h4-11H,12-13H2,1-3H3
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>1.34E+4n/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