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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 1633   
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))
BDBM12870
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(c2[nH]c(=O)n(-c3ccc(cc3)-c3ccccc3CN3CC[C@@H](O)C3)c(=O)c12)C(F)(F)F |r|
Show InChI InChI=1S/C30H24F3N7O4/c31-30(32,33)26-24-25(40(36-26)19-9-10-23-22(13-19)27(34)37-44-23)28(42)39(29(43)35-24)18-7-5-16(6-8-18)21-4-2-1-3-17(21)14-38-12-11-20(41)15-38/h1-10,13,20,41H,11-12,14-15H2,(H2,34,37)(H,35,43)/t20-/m1/s1
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0.110 -56.3n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12864
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F
Show InChI InChI=1S/C29H24F3N7O2/c1-16-34-24-25(39(35-26(24)29(30,31)32)20-12-13-23-22(14-20)27(33)36-41-23)28(40)38(16)19-10-8-17(9-11-19)21-7-5-4-6-18(21)15-37(2)3/h4-14H,15H2,1-3H3,(H2,33,36)
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0.170 -55.2n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12866
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)
Show SMILES Cc1nc2c(nn(-c3ccc4onc(N)c4c3)c2c(=O)n1-c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r|
Show InChI InChI=1S/C31H26F3N7O3/c1-17-36-26-27(41(37-28(26)31(32,33)34)21-10-11-25-24(14-21)29(35)38-44-25)30(43)40(17)20-8-6-18(7-9-20)23-5-3-2-4-19(23)15-39-13-12-22(42)16-39/h2-11,14,22,42H,12-13,15-16H2,1H3,(H2,35,38)/t22-/m1/s1
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0.180 -55.1n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12868
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(c2NCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r|
Show InChI InChI=1S/C30H26F3N7O3/c31-30(32,33)27-25-26(40(36-27)20-9-10-24-23(13-20)28(34)37-43-24)29(42)39(16-35-25)19-7-5-17(6-8-19)22-4-2-1-3-18(22)14-38-12-11-21(41)15-38/h1-10,13,21,35,41H,11-12,14-16H2,(H2,34,37)/t21-/m1/s1
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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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12871
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(4-hydrox...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(c2[nH]c(=O)n(-c3ccc(cc3)-c3ccccc3CN3CCC(O)CC3)c(=O)c12)C(F)(F)F
Show InChI InChI=1S/C31H26F3N7O4/c32-31(33,34)27-25-26(41(37-27)20-9-10-24-23(15-20)28(35)38-45-24)29(43)40(30(44)36-25)19-7-5-17(6-8-19)22-4-2-1-3-18(22)16-39-13-11-21(42)12-14-39/h1-10,15,21,42H,11-14,16H2,(H2,35,38)(H,36,44)
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0.220 -54.6n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12687
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)N1CNc2c(nn(c2C1=O)-c1ccc2onc(N)c2c1)C(F)(F)F
Show InChI InChI=1S/C28H24F3N7O2/c1-36(2)14-17-5-3-4-6-20(17)16-7-9-18(10-8-16)37-15-33-23-24(27(37)39)38(34-25(23)28(29,30)31)19-11-12-22-21(13-19)26(32)35-40-22/h3-13,33H,14-15H2,1-2H3,(H2,32,35)
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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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12860
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O
Show InChI InChI=1S/C29H27N7O2/c1-17-26-27(36(32-17)22-13-14-25-24(15-22)28(30)33-38-25)29(37)35(18(2)31-26)21-11-9-19(10-12-21)23-8-6-5-7-20(23)16-34(3)4/h5-15H,16H2,1-4H3,(H2,30,33)
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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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12862
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-3,5-dimethyl-6-[4-...)
Show SMILES CC(C)N(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O
Show InChI InChI=1S/C31H31N7O2/c1-18(2)36(5)17-22-8-6-7-9-25(22)21-10-12-23(13-11-21)37-20(4)33-28-19(3)34-38(29(28)31(37)39)24-14-15-27-26(16-24)30(32)35-40-27/h6-16,18H,17H2,1-5H3,(H2,32,35)
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0.350 -53.4n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12863
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1cnc2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O2/c1-36(2)14-17-5-3-4-6-20(17)16-7-9-18(10-8-16)37-15-33-23-24(27(37)39)38(34-25(23)28(29,30)31)19-11-12-22-21(13-19)26(32)35-40-22/h3-13,15H,14H2,1-2H3,(H2,32,35)
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0.350 -53.4n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12869
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...)
Show SMILES CN(C)Cc1nccn1-c1ccc(c(F)c1)-n1c(=O)[nH]c2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F |(5.96,5.32,;5.96,3.78,;7.29,3.01,;4.63,3.01,;4.63,1.47,;5.87,.57,;5.4,-.9,;3.86,-.9,;3.38,.57,;2.05,1.34,;.71,.57,;-.62,1.34,;-.62,2.88,;.71,3.65,;.71,5.19,;2.05,2.88,;-2.11,3.28,;-2.58,4.74,;-1.55,5.89,;-4.09,5.06,;-5.12,3.92,;-6.66,3.92,;-7.14,2.45,;-5.89,1.55,;-5.89,.01,;-7.23,-.76,;-7.23,-2.3,;-5.89,-3.07,;-5.57,-4.58,;-4.04,-4.74,;-3.41,-3.33,;-1.91,-3.01,;-4.56,-2.3,;-4.56,-.76,;-4.65,2.45,;-3.14,2.13,;-2.74,.65,;-7.57,5.16,;-8.34,6.5,;-6.28,6,;-8.86,4.33,)|
Show InChI InChI=1S/C25H19F4N9O3/c1-35(2)11-18-31-7-8-36(18)12-3-5-16(15(26)10-12)37-23(39)20-19(32-24(37)40)21(25(27,28)29)33-38(20)13-4-6-17-14(9-13)22(30)34-41-17/h3-10H,11H2,1-2H3,(H2,30,34)(H,32,40)
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0.350 -53.4n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12861
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)
Show SMILES Cc1nn(-c2ccc3onc(N)c3c2)c2c1nc(C)n(-c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)c2=O |r|
Show InChI InChI=1S/C31H29N7O3/c1-18-28-29(38(34-18)23-11-12-27-26(15-23)30(32)35-41-27)31(40)37(19(2)33-28)22-9-7-20(8-10-22)25-6-4-3-5-21(25)16-36-14-13-24(39)17-36/h3-12,15,24,39H,13-14,16-17H2,1-2H3,(H2,32,35)/t24-/m1/s1
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0.370 -53.3n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12865
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(cyclopr...)
Show SMILES Cc1nc2c(nn(-c3ccc4onc(N)c4c3)c2c(=O)n1-c1ccc(cc1)-c1ccccc1CNCC1CC1)C(F)(F)F
Show InChI InChI=1S/C31H26F3N7O2/c1-17-37-26-27(41(38-28(26)31(32,33)34)22-12-13-25-24(14-22)29(35)39-43-25)30(42)40(17)21-10-8-19(9-11-21)23-5-3-2-4-20(23)16-36-15-18-6-7-18/h2-5,8-14,18,36H,6-7,15-16H2,1H3,(H2,35,39)
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0.5 -52.6n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12857
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3S)-3-h...)
Show SMILES Cc1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CN1CC[C@H](O)C1)c2=O |r|
Show InChI InChI=1S/C30H27N7O3/c1-18-27-28(37(33-18)22-10-11-26-25(14-22)29(31)34-40-26)30(39)36(17-32-27)21-8-6-19(7-9-21)24-5-3-2-4-20(24)15-35-13-12-23(38)16-35/h2-11,14,17,23,38H,12-13,15-16H2,1H3,(H2,31,34)/t23-/m0/s1
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0.5 -52.6n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12855
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1cnc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O
Show InChI InChI=1S/C28H25N7O2/c1-17-25-26(35(31-17)21-12-13-24-23(14-21)27(29)32-37-24)28(36)34(16-30-25)20-10-8-18(9-11-20)22-7-5-4-6-19(22)15-33(2)3/h4-14,16H,15H2,1-3H3,(H2,29,32)
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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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12873
PNG
(5-amino-1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(c2nc(N)c(-c3ccc(cc3)-c3ccccc3CN3CCC(O)CC3)c(O)c12)C(F)(F)F
Show InChI InChI=1S/C32H28F3N7O3/c33-32(34,35)29-26-27(42(39-29)20-9-10-24-23(15-20)30(36)40-45-24)28(44)25(31(37)38-26)18-7-5-17(6-8-18)22-4-2-1-3-19(22)16-41-13-11-21(43)12-14-41/h1-10,15,21,43H,11-14,16H2,(H2,36,40)(H3,37,38,44)
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0.770 -51.5n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12856
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-3-methyl-6-{4-[2-(...)
Show SMILES Cc1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CN1CCCC1)c2=O
Show InChI InChI=1S/C30H27N7O2/c1-19-27-28(37(33-19)23-12-13-26-25(16-23)29(31)34-39-26)30(38)36(18-32-27)22-10-8-20(9-11-22)24-7-3-2-6-21(24)17-35-14-4-5-15-35/h2-3,6-13,16,18H,4-5,14-15,17H2,1H3,(H2,31,34)
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1.30 -50.2n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12859
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-3-methyl-6-(4-{2-[...)
Show SMILES CC(C)NCc1ccccc1-c1ccc(cc1)-n1cnc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O
Show InChI InChI=1S/C29H27N7O2/c1-17(2)31-15-20-6-4-5-7-23(20)19-8-10-21(11-9-19)35-16-32-26-18(3)33-36(27(26)29(35)37)22-12-13-25-24(14-22)28(30)34-38-25/h4-14,16-17,31H,15H2,1-3H3,(H2,30,34)
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1.5 -49.9n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12854
PNG
(Pyrazolo[4,3-d]pyrimidinone 12 | ethyl 1-(3-amino-...)
Show SMILES CCOC(=O)c1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CN1CCCC1)c2=O
Show InChI InChI=1S/C32H29N7O4/c1-2-42-32(41)28-27-29(39(35-28)23-13-14-26-25(17-23)30(33)36-43-26)31(40)38(19-34-27)22-11-9-20(10-12-22)24-8-4-3-7-21(24)18-37-15-5-6-16-37/h3-4,7-14,17,19H,2,5-6,15-16,18H2,1H3,(H2,33,36)
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1.60 -49.7n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12858
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(cyclopr...)
Show SMILES Cc1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CNCC1CC1)c2=O
Show InChI InChI=1S/C30H27N7O2/c1-18-27-28(37(34-18)23-12-13-26-25(14-23)29(31)35-39-26)30(38)36(17-33-27)22-10-8-20(9-11-22)24-5-3-2-4-21(24)16-32-15-19-6-7-19/h2-5,8-14,17,19,32H,6-7,15-16H2,1H3,(H2,31,35)
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1.70 -49.6n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12872
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-c1cnc2c(nn(-c3ccc4onc(N)c4c3)c2c1O)C(F)(F)F
Show InChI InChI=1S/C29H23F3N6O2/c1-37(2)15-18-5-3-4-6-20(18)16-7-9-17(10-8-16)22-14-34-24-25(26(22)39)38(35-27(24)29(30,31)32)19-11-12-23-21(13-19)28(33)36-40-23/h3-14H,15H2,1-2H3,(H2,33,36)(H,34,39)
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3.20 -48.0n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12874
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-c1nnc2c(nn(-c3ccc4onc(N)c4c3)c2c1O)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O2/c1-37(2)14-17-5-3-4-6-19(17)15-7-9-16(10-8-15)22-25(39)24-23(34-33-22)26(28(29,30)31)35-38(24)18-11-12-21-20(13-18)27(32)36-40-21/h3-13H,14H2,1-2H3,(H2,32,36)(H,34,39)
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5.5 -46.7n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM12868
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(c2NCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r|
Show InChI InChI=1S/C30H26F3N7O3/c31-30(32,33)27-25-26(40(36-27)20-9-10-24-23(13-20)28(34)37-43-24)29(42)39(16-35-25)19-7-5-17(6-8-19)22-4-2-1-3-18(22)14-38-12-11-21(41)15-38/h1-10,13,21,35,41H,11-12,14-16H2,(H2,34,37)/t21-/m1/s1
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130 -38.9n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM12864
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F
Show InChI InChI=1S/C29H24F3N7O2/c1-16-34-24-25(39(35-26(24)29(30,31)32)20-12-13-23-22(14-20)27(33)36-41-23)28(40)38(16)19-10-8-17(9-11-19)21-7-5-4-6-18(21)15-37(2)3/h4-14H,15H2,1-3H3,(H2,33,36)
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130 -38.9n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM12861
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)
Show SMILES Cc1nn(-c2ccc3onc(N)c3c2)c2c1nc(C)n(-c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)c2=O |r|
Show InChI InChI=1S/C31H29N7O3/c1-18-28-29(38(34-18)23-11-12-27-26(15-23)30(32)35-41-27)31(40)37(19(2)33-28)22-9-7-20(8-10-22)25-6-4-3-5-21(25)16-36-14-13-24(39)17-36/h3-12,15,24,39H,13-14,16-17H2,1-2H3,(H2,32,35)/t24-/m1/s1
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245 -37.4n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM12860
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O
Show InChI InChI=1S/C29H27N7O2/c1-17-26-27(36(32-17)22-13-14-25-24(15-22)28(30)33-38-25)29(37)35(18(2)31-26)21-11-9-19(10-12-21)23-8-6-5-7-20(23)16-34(3)4/h5-15H,16H2,1-4H3,(H2,30,33)
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305 -36.8n/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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM12864
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F
Show InChI InChI=1S/C29H24F3N7O2/c1-16-34-24-25(39(35-26(24)29(30,31)32)20-12-13-23-22(14-20)27(33)36-41-23)28(40)38(16)19-10-8-17(9-11-19)21-7-5-4-6-18(21)15-37(2)3/h4-14H,15H2,1-3H3,(H2,33,36)
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3.70E+4 -25.3n/an/an/an/an/a7.425



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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM12860
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...)
Show SMILES CN(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O
Show InChI InChI=1S/C29H27N7O2/c1-17-26-27(36(32-17)22-13-14-25-24(15-22)28(30)33-38-25)29(37)35(18(2)31-26)21-11-9-19(10-12-21)23-8-6-5-7-20(23)16-34(3)4/h5-15H,16H2,1-4H3,(H2,30,33)
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>4.10E+4>-25.0n/an/an/an/an/a7.425



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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM12861
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)
Show SMILES Cc1nn(-c2ccc3onc(N)c3c2)c2c1nc(C)n(-c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)c2=O |r|
Show InChI InChI=1S/C31H29N7O3/c1-18-28-29(38(34-18)23-11-12-27-26(15-23)30(32)35-41-27)31(40)37(19(2)33-28)22-9-7-20(8-10-22)25-6-4-3-5-21(25)16-36-14-13-24(39)17-36/h3-12,15,24,39H,13-14,16-17H2,1-2H3,(H2,32,35)/t24-/m1/s1
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>4.10E+4>-25.0n/an/an/an/an/a7.425



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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM12868
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(c2NCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r|
Show InChI InChI=1S/C30H26F3N7O3/c31-30(32,33)27-25-26(40(36-27)20-9-10-24-23(13-20)28(34)37-43-24)29(42)39(16-35-25)19-7-5-17(6-8-19)22-4-2-1-3-18(22)14-38-12-11-21(41)15-38/h1-10,13,21,35,41H,11-12,14-16H2,(H2,34,37)/t21-/m1/s1
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>4.10E+4>-25.0n/an/an/an/an/a7.425



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: 5176-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.002
BindingDB Entry DOI: 10.7270/Q29K48GC
More data for this
Ligand-Target Pair