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PubMed code 16434195

Compile data set for download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
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))
BDBM12852
PNG
(4-{[2-(4-{[1-(3-amino-1,2-benzoxazol-5-yl)-3-(trif...)
Show SMILES C[N+]1(Cc2ccccc2-c2ccc(NC(=O)c3cc(nn3-c3ccc4onc(N)c4c3)C(F)(F)F)c(F)c2)CCOCC1
Show InChI InChI=1S/C30H26F4N6O3/c1-40(10-12-42-13-11-40)17-19-4-2-3-5-21(19)18-6-8-24(23(31)14-18)36-29(41)25-16-27(30(32,33)34)37-39(25)20-7-9-26-22(15-20)28(35)38-43-26/h2-9,14-16H,10-13,17H2,1H3,(H2-,35,36,38,41)/p+1
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Article
PubMed
0.0200 -60.5n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12853
PNG
(Aminobenzisoxazole 2v | {[2-(4-{[1-(3-amino-1,2-be...)
Show SMILES C[N+](C)(C)Cc1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C28H24F4N6O2/c1-38(2,3)15-17-6-4-5-7-19(17)16-8-10-22(21(29)12-16)34-27(39)23-14-25(28(30,31)32)35-37(23)18-9-11-24-20(13-18)26(33)36-40-24/h4-14H,15H2,1-3H3,(H2-,33,34,36,39)/p+1
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Article
PubMed
0.0500 -58.2n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12851
PNG
(1-{[2-(4-{[1-(3-amino-1,2-benzoxazol-5-yl)-3-(trif...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1C[n+]1ccccc1)C(F)(F)F
Show InChI InChI=1S/C30H20F4N6O2/c31-23-14-18(21-7-3-2-6-19(21)17-39-12-4-1-5-13-39)8-10-24(23)36-29(41)25-16-27(30(32,33)34)37-40(25)20-9-11-26-22(15-20)28(35)38-42-26/h1-16H,17H2,(H2-,35,36,38,41)/p+1
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PubMed
0.0800 -57.1n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12840
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-{2-fluoro-4-[2-(...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CN1CCCC1)C(F)(F)F
Show InChI InChI=1S/C29H24F4N6O2/c30-22-13-17(20-6-2-1-5-18(20)16-38-11-3-4-12-38)7-9-23(22)35-28(40)24-15-26(29(31,32)33)36-39(24)19-8-10-25-21(14-19)27(34)37-41-25/h1-2,5-10,13-15H,3-4,11-12,16H2,(H2,34,37)(H,35,40)
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Article
PubMed
0.100 -56.5n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12846
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-{2-fluoro-4-[2-(...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CN1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O2/c31-23-14-18(21-7-3-2-6-19(21)17-39-12-4-1-5-13-39)8-10-24(23)36-29(41)25-16-27(30(32,33)34)37-40(25)20-9-11-26-22(15-20)28(35)38-42-26/h2-3,6-11,14-16H,1,4-5,12-13,17H2,(H2,35,38)(H,36,41)
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Article
PubMed
0.150 -55.5n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12842
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-[2-fluoro-4-(2-{...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r|
Show InChI InChI=1S/C29H24F4N6O3/c30-22-11-16(20-4-2-1-3-17(20)14-38-10-9-19(40)15-38)5-7-23(22)35-28(41)24-13-26(29(31,32)33)36-39(24)18-6-8-25-21(12-18)27(34)37-42-25/h1-8,11-13,19,40H,9-10,14-15H2,(H2,34,37)(H,35,41)/t19-/m1/s1
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Article
PubMed
0.160 -55.3n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12676
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...)
Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
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Article
PubMed
0.190 -54.9n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12836
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-(4-{2-[(cyclobut...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CNC1CCC1)C(F)(F)F
Show InChI InChI=1S/C29H24F4N6O2/c30-22-12-16(20-7-2-1-4-17(20)15-35-18-5-3-6-18)8-10-23(22)36-28(40)24-14-26(29(31,32)33)37-39(24)19-9-11-25-21(13-19)27(34)38-41-25/h1-2,4,7-14,18,35H,3,5-6,15H2,(H2,34,38)(H,36,40)
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Article
PubMed
0.200 -54.8n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12841
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-[2-fluoro-4-(2-{...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CN1CCC[C@H]1CO)C(F)(F)F |r|
Show InChI InChI=1S/C30H26F4N6O3/c31-23-12-17(21-6-2-1-4-18(21)15-39-11-3-5-20(39)16-41)7-9-24(23)36-29(42)25-14-27(30(32,33)34)37-40(25)19-8-10-26-22(13-19)28(35)38-43-26/h1-2,4,6-10,12-14,20,41H,3,5,11,15-16H2,(H2,35,38)(H,36,42)/t20-/m0/s1
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PubMed
0.200 -54.8n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12688
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-(4-{2-[(dimethyl...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C27H22F4N6O2/c1-36(2)14-16-5-3-4-6-18(16)15-7-9-21(20(28)11-15)33-26(38)22-13-24(27(29,30)31)34-37(22)17-8-10-23-19(12-17)25(32)35-39-23/h3-13H,14H2,1-2H3,(H2,32,35)(H,33,38)
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Article
PubMed
0.210 -54.7n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12834
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-[4-(2-{[(cyclopr...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CNCC1CC1)C(F)(F)F
Show InChI InChI=1S/C29H24F4N6O2/c30-22-11-17(20-4-2-1-3-18(20)15-35-14-16-5-6-16)7-9-23(22)36-28(40)24-13-26(29(31,32)33)37-39(24)19-8-10-25-21(12-19)27(34)38-41-25/h1-4,7-13,16,35H,5-6,14-15H2,(H2,34,38)(H,36,40)
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PubMed
0.25 -54.3n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12833
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-(2-fluoro-4-{2-[...)
Show SMILES CNCc1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C26H20F4N6O2/c1-32-13-15-4-2-3-5-17(15)14-6-8-20(19(27)10-14)33-25(37)21-12-23(26(28,29)30)34-36(21)16-7-9-22-18(11-16)24(31)35-38-22/h2-12,32H,13H2,1H3,(H2,31,35)(H,33,37)
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PubMed
0.270 -54.1n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12837
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-(4-{2-[(cyclopen...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CNC1CCCC1)C(F)(F)F
Show InChI InChI=1S/C30H26F4N6O2/c31-23-13-17(21-8-4-1-5-18(21)16-36-19-6-2-3-7-19)9-11-24(23)37-29(41)25-15-27(30(32,33)34)38-40(25)20-10-12-26-22(14-20)28(35)39-42-26/h1,4-5,8-15,19,36H,2-3,6-7,16H2,(H2,35,39)(H,37,41)
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PubMed
0.300 -53.8n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12835
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-(2-fluoro-4-{2-[...)
Show SMILES CC(C)NCc1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C28H24F4N6O2/c1-15(2)34-14-17-5-3-4-6-19(17)16-7-9-22(21(29)11-16)35-27(39)23-13-25(28(30,31)32)36-38(23)18-8-10-24-20(12-18)26(33)37-40-24/h3-13,15,34H,14H2,1-2H3,(H2,33,37)(H,35,39)
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PubMed
0.340 -53.5n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12839
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-{4-[2-(aziridin-...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CN1CC1)C(F)(F)F
Show InChI InChI=1S/C27H20F4N6O2/c28-20-11-15(18-4-2-1-3-16(18)14-36-9-10-36)5-7-21(20)33-26(38)22-13-24(27(29,30)31)34-37(22)17-6-8-23-19(12-17)25(32)35-39-23/h1-8,11-13H,9-10,14H2,(H2,32,35)(H,33,38)
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PubMed
0.400 -53.1n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12844
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-[4-(2-{[(3R)-3-a...)
Show SMILES N[C@@H]1CCN(Cc2ccccc2-c2ccc(NC(=O)c3cc(nn3-c3ccc4onc(N)c4c3)C(F)(F)F)c(F)c2)C1 |r|
Show InChI InChI=1S/C29H25F4N7O2/c30-22-11-16(20-4-2-1-3-17(20)14-39-10-9-18(34)15-39)5-7-23(22)36-28(41)24-13-26(29(31,32)33)37-40(24)19-6-8-25-21(12-19)27(35)38-42-25/h1-8,11-13,18H,9-10,14-15,34H2,(H2,35,38)(H,36,41)/t18-/m1/s1
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Article
PubMed
0.520 -52.5n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12843
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-[2-fluoro-4-(2-{...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CN1CC[C@H](O)C1)C(F)(F)F |r|
Show InChI InChI=1S/C29H24F4N6O3/c30-22-11-16(20-4-2-1-3-17(20)14-38-10-9-19(40)15-38)5-7-23(22)35-28(41)24-13-26(29(31,32)33)36-39(24)18-6-8-25-21(12-18)27(34)37-42-25/h1-8,11-13,19,40H,9-10,14-15H2,(H2,34,37)(H,35,41)/t19-/m0/s1
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PubMed
0.530 -52.4n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12845
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-[4-(2-{[(3S)-3-a...)
Show SMILES N[C@H]1CCN(Cc2ccccc2-c2ccc(NC(=O)c3cc(nn3-c3ccc4onc(N)c4c3)C(F)(F)F)c(F)c2)C1 |r|
Show InChI InChI=1S/C29H25F4N7O2/c30-22-11-16(20-4-2-1-3-17(20)14-39-10-9-18(34)15-39)5-7-23(22)36-28(41)24-13-26(29(31,32)33)37-40(24)19-6-8-25-21(12-19)27(35)38-42-25/h1-8,11-13,18H,9-10,14-15,34H2,(H2,35,38)(H,36,41)/t18-/m0/s1
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PubMed
0.540 -52.4n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12847
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-{2-fluoro-4-[2-(...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CN1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C29H24F4N6O3/c30-22-13-17(20-4-2-1-3-18(20)16-38-9-11-41-12-10-38)5-7-23(22)35-28(40)24-15-26(29(31,32)33)36-39(24)19-6-8-25-21(14-19)27(34)37-42-25/h1-8,13-15H,9-12,16H2,(H2,34,37)(H,35,40)
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PubMed
0.550 -52.3n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12850
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-{2-fluoro-4-[2-(...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1Cn1ccnc1)C(F)(F)F
Show InChI InChI=1S/C28H19F4N7O2/c29-21-11-16(19-4-2-1-3-17(19)14-38-10-9-34-15-38)5-7-22(21)35-27(40)23-13-25(28(30,31)32)36-39(23)18-6-8-24-20(12-18)26(33)37-41-24/h1-13,15H,14H2,(H2,33,37)(H,35,40)
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PubMed
0.660 -51.9n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12848
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-(2-fluoro-4-{2-[...)
Show SMILES CN1CCN(Cc2ccccc2-c2ccc(NC(=O)c3cc(nn3-c3ccc4onc(N)c4c3)C(F)(F)F)c(F)c2)CC1
Show InChI InChI=1S/C30H27F4N7O2/c1-39-10-12-40(13-11-39)17-19-4-2-3-5-21(19)18-6-8-24(23(31)14-18)36-29(42)25-16-27(30(32,33)34)37-41(25)20-7-9-26-22(15-20)28(35)38-43-26/h2-9,14-16H,10-13,17H2,1H3,(H2,35,38)(H,36,42)
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PubMed
0.860 -51.2n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12849
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-{2-fluoro-4-[2-(...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CN1CCNCC1)C(F)(F)F
Show InChI InChI=1S/C29H25F4N7O2/c30-22-13-17(20-4-2-1-3-18(20)16-39-11-9-35-10-12-39)5-7-23(22)36-28(41)24-15-26(29(31,32)33)37-40(24)19-6-8-25-21(14-19)27(34)38-42-25/h1-8,13-15,35H,9-12,16H2,(H2,34,38)(H,36,41)
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PubMed
1.14 -50.5n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12832
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-{4-[2-(aminometh...)
Show SMILES NCc1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C25H18F4N6O2/c26-18-9-13(16-4-2-1-3-14(16)12-30)5-7-19(18)32-24(36)20-11-22(25(27,28)29)33-35(20)15-6-8-21-17(10-15)23(31)34-37-21/h1-11H,12,30H2,(H2,31,34)(H,32,36)
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PubMed
2 -49.2n/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: 1795-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.010
BindingDB Entry DOI: 10.7270/Q2FB515N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%