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PubMed code 15454208

Compile data set for download or QSAR
Found 48 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))
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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Article
PubMed
0.0130 -61.5n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12754
PNG
(1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{1H-imidaz...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ncccc12)C(F)(F)F
Show InChI InChI=1S/C24H16F4N8O/c25-16-10-14(35-12-32-22-18(35)5-2-8-31-22)6-7-17(16)33-23(37)19-11-20(24(26,27)28)34-36(19)15-4-1-3-13(9-15)21(29)30/h1-12H,(H3,29,30)(H,33,37)
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PubMed
0.0240 -60.0n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12757
PNG
(1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{3H-imidaz...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cccnc12)C(F)(F)F
Show InChI InChI=1S/C24H16F4N8O/c25-16-10-14(35-12-32-18-5-2-8-31-22(18)35)6-7-17(16)33-23(37)19-11-20(24(26,27)28)34-36(19)15-4-1-3-13(9-15)21(29)30/h1-12H,(H3,29,30)(H,33,37)
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PubMed
0.0280 -59.6n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12755
PNG
(1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{1H-imidaz...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cnccc12)C(F)(F)F
Show InChI InChI=1S/C24H16F4N8O/c25-16-9-14(35-12-32-18-11-31-7-6-19(18)35)4-5-17(16)33-23(37)20-10-21(24(26,27)28)34-36(20)15-3-1-2-13(8-15)22(29)30/h1-12H,(H3,29,30)(H,33,37)
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PubMed
0.0360 -59.0n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12756
PNG
(1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{3H-imidaz...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ccncc12)C(F)(F)F
Show InChI InChI=1S/C24H16F4N8O/c25-16-9-14(35-12-32-18-6-7-31-11-20(18)35)4-5-17(16)33-23(37)19-10-21(24(26,27)28)34-36(19)15-3-1-2-13(8-15)22(29)30/h1-12H,(H3,29,30)(H,33,37)
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PubMed
0.0440 -58.5n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12766
PNG
(1-(3-carbamimidoylphenyl)-N-[4-(2-oxo-2,7a-dihydro...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1c2ccccc2[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C25H18F3N7O2/c26-25(27,28)21-13-20(35(33-21)17-5-3-4-14(12-17)22(29)30)23(36)31-15-8-10-16(11-9-15)34-19-7-2-1-6-18(19)32-24(34)37/h1-13H,(H3,29,30)(H,31,36)(H,32,37)
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PubMed
0.0580 -57.8n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12763
PNG
(1-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(5-nitro-1...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cc(ccc12)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C25H16F4N8O3/c26-17-9-14(35-12-32-19-10-16(37(39)40)5-7-20(19)35)4-6-18(17)33-24(38)21-11-22(25(27,28)29)34-36(21)15-3-1-2-13(8-15)23(30)31/h1-12H,(H3,30,31)(H,33,38)
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PubMed
0.0800 -57.1n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12767
PNG
(1-(3-carbamimidoylphenyl)-N-[4-(1H-imidazol-1-yl)p...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1ccnc1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N7O/c22-21(23,24)18-11-17(31(29-18)16-3-1-2-13(10-16)19(25)26)20(32)28-14-4-6-15(7-5-14)30-9-8-27-12-30/h1-12H,(H3,25,26)(H,28,32)
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Article
PubMed
0.0910 -56.7n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12752
PNG
(N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbami...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C25H18F3N7O/c26-25(27,28)22-13-21(35(33-22)18-5-3-4-15(12-18)23(29)30)24(36)32-16-8-10-17(11-9-16)34-14-31-19-6-1-2-7-20(19)34/h1-14H,(H3,29,30)(H,32,36)
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PubMed
0.0940 -56.7n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12753
PNG
(N-[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl]-1-(...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C25H17F4N7O/c26-17-11-15(35-13-32-19-6-1-2-7-20(19)35)8-9-18(17)33-24(37)21-12-22(25(27,28)29)34-36(21)16-5-3-4-14(10-16)23(30)31/h1-13H,(H3,30,31)(H,33,37)
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PubMed
0.100 -56.5n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12762
PNG
(N-[4-(5-amino-1H-1,3-benzodiazol-1-yl)-2-fluorophe...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cc(N)ccc12)C(F)(F)F
Show InChI InChI=1S/C25H18F4N8O/c26-17-10-15(36-12-33-19-9-14(30)4-7-20(19)36)5-6-18(17)34-24(38)21-11-22(25(27,28)29)35-37(21)16-3-1-2-13(8-16)23(31)32/h1-12H,30H2,(H3,31,32)(H,34,38)
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PubMed
0.120 -56.1n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12769
PNG
(N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbami...)
Show SMILES Cc1ncn(n1)-c1cc(C(=O)Nc2ccc(cc2)-n2cnc3ccccc23)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C27H22N10O/c1-17-30-16-36(33-17)25-14-24(37(34-25)21-6-4-5-18(13-21)26(28)29)27(38)32-19-9-11-20(12-10-19)35-15-31-22-7-2-3-8-23(22)35/h2-16H,1H3,(H3,28,29)(H,32,38)
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PubMed
0.190 -54.9n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12772
PNG
(N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbami...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C29H22N8O/c30-28(31)19-5-3-7-23(15-19)37-27(16-25(35-37)20-6-4-14-32-17-20)29(38)34-21-10-12-22(13-11-21)36-18-33-24-8-1-2-9-26(24)36/h1-18H,(H3,30,31)(H,34,38)
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PubMed
0.200 -54.8n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12759
PNG
(1-(3-carbamimidoylphenyl)-N-[4-(6-chloro-1H-1,3-be...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ccc(Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C25H16ClF4N7O/c26-14-4-6-19-20(9-14)36(12-33-19)15-5-7-18(17(27)10-15)34-24(38)21-11-22(25(28,29)30)35-37(21)16-3-1-2-13(8-16)23(31)32/h1-12H,(H3,31,32)(H,34,38)
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PubMed
0.25 -54.3n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12770
PNG
(N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbami...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(Cn2ccnn2)cc1C(=O)Nc1ccc(cc1)-n1cnc2ccccc12
Show InChI InChI=1S/C27H22N10O/c28-26(29)18-4-3-5-22(14-18)37-25(15-20(33-37)16-35-13-12-31-34-35)27(38)32-19-8-10-21(11-9-19)36-17-30-23-6-1-2-7-24(23)36/h1-15,17H,16H2,(H3,28,29)(H,32,38)
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PubMed
0.260 -54.2n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12761
PNG
(1-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(5-methyl-...)
Show SMILES Cc1ccc2n(cnc2c1)-c1ccc(NC(=O)c2cc(nn2-c2cccc(c2)C(N)=N)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C26H19F4N7O/c1-14-5-8-21-20(9-14)33-13-36(21)16-6-7-19(18(27)11-16)34-25(38)22-12-23(26(28,29)30)35-37(22)17-4-2-3-15(10-17)24(31)32/h2-13H,1H3,(H3,31,32)(H,34,38)
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PubMed
0.270 -54.1n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12764
PNG
(1-(3-carbamimidoylphenyl)-N-[4-(5,6-dichloro-1H-1,...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cc(Cl)c(Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C25H15Cl2F4N7O/c26-15-8-19-20(9-16(15)27)37(11-34-19)13-4-5-18(17(28)7-13)35-24(39)21-10-22(25(29,30)31)36-38(21)14-3-1-2-12(6-14)23(32)33/h1-11H,(H3,32,33)(H,35,39)
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0.270 -54.1n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12760
PNG
(1-(3-carbamimidoylphenyl)-N-{2-fluoro-4-[5-(triflu...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cc(ccc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H16F7N7O/c27-17-10-15(39-12-36-19-9-14(25(28,29)30)4-7-20(19)39)5-6-18(17)37-24(41)21-11-22(26(31,32)33)38-40(21)16-3-1-2-13(8-16)23(34)35/h1-12H,(H3,34,35)(H,37,41)
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0.290 -53.9n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12771
PNG
(N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbami...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(Cn2cnnn2)cc1C(=O)Nc1ccc(cc1)-n1cnc2ccccc12
Show InChI InChI=1S/C26H21N11O/c27-25(28)17-4-3-5-21(12-17)37-24(13-19(32-37)14-35-16-30-33-34-35)26(38)31-18-8-10-20(11-9-18)36-15-29-22-6-1-2-7-23(22)36/h1-13,15-16H,14H2,(H3,27,28)(H,31,38)
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0.310 -53.7n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12750
PNG
(N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbami...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-n2cnc3ccccc23)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H21N7O/c1-16-13-23(32(30-16)20-6-4-5-17(14-20)24(26)27)25(33)29-18-9-11-19(12-10-18)31-15-28-21-7-2-3-8-22(21)31/h2-15H,1H3,(H3,26,27)(H,29,33)
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0.380 -53.2n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12758
PNG
(1-(3-carbamimidoylphenyl)-N-[4-(5-chloro-1H-1,3-be...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cc(Cl)ccc12)C(F)(F)F
Show InChI InChI=1S/C25H16ClF4N7O/c26-14-4-7-20-19(9-14)33-12-36(20)15-5-6-18(17(27)10-15)34-24(38)21-11-22(25(28,29)30)35-37(21)16-3-1-2-13(8-16)23(31)32/h1-12H,(H3,31,32)(H,34,38)
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0.420 -53.0n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12768
PNG
(N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbami...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(Cn2ccnc2)cc1C(=O)Nc1ccc(cc1)-n1cnc2ccccc12
Show InChI InChI=1S/C28H23N9O/c29-27(30)19-4-3-5-23(14-19)37-26(15-21(34-37)16-35-13-12-31-17-35)28(38)33-20-8-10-22(11-9-20)36-18-32-24-6-1-2-7-25(24)36/h1-15,17-18H,16H2,(H3,29,30)(H,33,38)
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0.580 -52.2n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12773
PNG
(1-(3-carbamimidoylphenyl)-N-[4-(5-chloro-1H-1,3-be...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1cnc2cc(Cl)ccc12)-c1cccnc1
Show InChI InChI=1S/C29H21ClN8O/c30-20-6-11-26-25(14-20)34-17-37(26)22-9-7-21(8-10-22)35-29(39)27-15-24(19-4-2-12-33-16-19)36-38(27)23-5-1-3-18(13-23)28(31)32/h1-17H,(H3,31,32)(H,35,39)
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0.650 -51.9n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12758
PNG
(1-(3-carbamimidoylphenyl)-N-[4-(5-chloro-1H-1,3-be...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cc(Cl)ccc12)C(F)(F)F
Show InChI InChI=1S/C25H16ClF4N7O/c26-14-4-7-20-19(9-14)33-12-36(20)15-5-6-18(17(27)10-15)34-24(38)21-11-22(25(28,29)30)35-37(21)16-3-1-2-13(8-16)23(31)32/h1-12H,(H3,31,32)(H,34,38)
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4.20n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12759
PNG
(1-(3-carbamimidoylphenyl)-N-[4-(6-chloro-1H-1,3-be...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ccc(Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C25H16ClF4N7O/c26-14-4-6-19-20(9-14)36(12-33-19)15-5-7-18(17(27)10-15)34-24(38)21-11-22(25(28,29)30)35-37(21)16-3-1-2-13(8-16)23(31)32/h1-12H,(H3,31,32)(H,34,38)
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5.10n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM12765
PNG
(1-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(1H-indol-...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1ccc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C26H18F4N6O/c27-19-13-17(35-11-10-15-4-1-2-7-21(15)35)8-9-20(19)33-25(37)22-14-23(26(28,29)30)34-36(22)18-6-3-5-16(12-18)24(31)32/h1-14H,(H3,31,32)(H,33,37)
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5.40 -46.7n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12772
PNG
(N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbami...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C29H22N8O/c30-28(31)19-5-3-7-23(15-19)37-27(16-25(35-37)20-6-4-14-32-17-20)29(38)34-21-10-12-22(13-11-21)36-18-33-24-8-1-2-9-26(24)36/h1-18H,(H3,30,31)(H,34,38)
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5.5n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12760
PNG
(1-(3-carbamimidoylphenyl)-N-{2-fluoro-4-[5-(triflu...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cc(ccc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H16F7N7O/c27-17-10-15(39-12-36-19-9-14(25(28,29)30)4-7-20(19)39)5-6-18(17)37-24(41)21-11-22(26(31,32)33)38-40(21)16-3-1-2-13(8-16)23(34)35/h1-12H,(H3,34,35)(H,37,41)
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6.40n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12756
PNG
(1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{3H-imidaz...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ccncc12)C(F)(F)F
Show InChI InChI=1S/C24H16F4N8O/c25-16-9-14(35-12-32-18-6-7-31-11-20(18)35)4-5-17(16)33-23(37)19-10-21(24(26,27)28)34-36(19)15-3-1-2-13(8-15)22(29)30/h1-12H,(H3,29,30)(H,33,37)
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7.90n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12754
PNG
(1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{1H-imidaz...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ncccc12)C(F)(F)F
Show InChI InChI=1S/C24H16F4N8O/c25-16-10-14(35-12-32-22-18(35)5-2-8-31-22)6-7-17(16)33-23(37)19-11-20(24(26,27)28)34-36(19)15-4-1-3-13(9-15)21(29)30/h1-12H,(H3,29,30)(H,33,37)
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7.90n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12755
PNG
(1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{1H-imidaz...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cnccc12)C(F)(F)F
Show InChI InChI=1S/C24H16F4N8O/c25-16-9-14(35-12-32-18-11-31-7-6-19(18)35)4-5-17(16)33-23(37)20-10-21(24(26,27)28)34-36(20)15-3-1-2-13(8-15)22(29)30/h1-12H,(H3,29,30)(H,33,37)
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8n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12761
PNG
(1-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(5-methyl-...)
Show SMILES Cc1ccc2n(cnc2c1)-c1ccc(NC(=O)c2cc(nn2-c2cccc(c2)C(N)=N)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C26H19F4N7O/c1-14-5-8-21-20(9-14)33-13-36(21)16-6-7-19(18(27)11-16)34-25(38)22-12-23(26(28,29)30)35-37(22)17-4-2-3-15(10-17)24(31)32/h2-13H,1H3,(H3,31,32)(H,34,38)
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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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12762
PNG
(N-[4-(5-amino-1H-1,3-benzodiazol-1-yl)-2-fluorophe...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cc(N)ccc12)C(F)(F)F
Show InChI InChI=1S/C25H18F4N8O/c26-17-10-15(36-12-33-19-9-14(30)4-7-20(19)36)5-6-18(17)34-24(38)21-11-22(25(27,28)29)35-37(21)16-3-1-2-13(8-16)23(31)32/h1-12H,30H2,(H3,31,32)(H,34,38)
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11n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12771
PNG
(N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbami...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(Cn2cnnn2)cc1C(=O)Nc1ccc(cc1)-n1cnc2ccccc12
Show InChI InChI=1S/C26H21N11O/c27-25(28)17-4-3-5-21(12-17)37-24(13-19(32-37)14-35-16-30-33-34-35)26(38)31-18-8-10-20(11-9-18)36-15-29-22-6-1-2-7-23(22)36/h1-13,15-16H,14H2,(H3,27,28)(H,31,38)
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11n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12752
PNG
(N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbami...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C25H18F3N7O/c26-25(27,28)22-13-21(35(33-22)18-5-3-4-15(12-18)23(29)30)24(36)32-16-8-10-17(11-9-16)34-14-31-19-6-1-2-7-20(19)34/h1-14H,(H3,29,30)(H,32,36)
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11n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12763
PNG
(1-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(5-nitro-1...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cc(ccc12)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C25H16F4N8O3/c26-17-9-14(35-12-32-19-10-16(37(39)40)5-7-20(19)35)4-6-18(17)33-24(38)21-11-22(25(27,28)29)34-36(21)15-3-1-2-13(8-15)23(30)31/h1-12H,(H3,30,31)(H,33,38)
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11n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12753
PNG
(N-[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl]-1-(...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C25H17F4N7O/c26-17-11-15(35-13-32-19-6-1-2-7-20(19)35)8-9-18(17)33-24(37)21-12-22(25(27,28)29)34-36(21)16-5-3-4-14(10-16)23(30)31/h1-13H,(H3,30,31)(H,33,37)
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13n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12757
PNG
(1-(3-carbamimidoylphenyl)-N-(2-fluoro-4-{3H-imidaz...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cccnc12)C(F)(F)F
Show InChI InChI=1S/C24H16F4N8O/c25-16-10-14(35-12-32-18-5-2-8-31-22(18)35)6-7-17(16)33-23(37)19-11-20(24(26,27)28)34-36(19)15-4-1-3-13(9-15)21(29)30/h1-12H,(H3,29,30)(H,33,37)
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13n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12773
PNG
(1-(3-carbamimidoylphenyl)-N-[4-(5-chloro-1H-1,3-be...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1cnc2cc(Cl)ccc12)-c1cccnc1
Show InChI InChI=1S/C29H21ClN8O/c30-20-6-11-26-25(14-20)34-17-37(26)22-9-7-21(8-10-22)35-29(39)27-15-24(19-4-2-12-33-16-19)36-38(27)23-5-1-3-18(13-23)28(31)32/h1-17H,(H3,31,32)(H,35,39)
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15n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12770
PNG
(N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbami...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(Cn2ccnn2)cc1C(=O)Nc1ccc(cc1)-n1cnc2ccccc12
Show InChI InChI=1S/C27H22N10O/c28-26(29)18-4-3-5-22(14-18)37-25(15-20(33-37)16-35-13-12-31-34-35)27(38)32-19-8-10-21(11-9-19)36-17-30-23-6-1-2-7-24(23)36/h1-15,17H,16H2,(H3,28,29)(H,32,38)
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20n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12764
PNG
(1-(3-carbamimidoylphenyl)-N-[4-(5,6-dichloro-1H-1,...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cc(Cl)c(Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C25H15Cl2F4N7O/c26-15-8-19-20(9-16(15)27)37(11-34-19)13-4-5-18(17(28)7-13)35-24(39)21-10-22(25(29,30)31)36-38(21)14-3-1-2-12(6-14)23(32)33/h1-11H,(H3,32,33)(H,35,39)
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26n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12769
PNG
(N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbami...)
Show SMILES Cc1ncn(n1)-c1cc(C(=O)Nc2ccc(cc2)-n2cnc3ccccc23)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C27H22N10O/c1-17-30-16-36(33-17)25-14-24(37(34-25)21-6-4-5-18(13-21)26(28)29)27(38)32-19-9-11-20(12-10-19)35-15-31-22-7-2-3-8-23(22)35/h2-16H,1H3,(H3,28,29)(H,32,38)
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44n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12767
PNG
(1-(3-carbamimidoylphenyl)-N-[4-(1H-imidazol-1-yl)p...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1ccnc1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N7O/c22-21(23,24)18-11-17(31(29-18)16-3-1-2-13(10-16)19(25)26)20(32)28-14-4-6-15(7-5-14)30-9-8-27-12-30/h1-12H,(H3,25,26)(H,28,32)
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72n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12750
PNG
(N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbami...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-n2cnc3ccccc23)n(n1)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C25H21N7O/c1-16-13-23(32(30-16)20-6-4-5-17(14-20)24(26)27)25(33)29-18-9-11-19(12-10-18)31-15-28-21-7-2-3-8-22(21)31/h2-15H,1H3,(H3,26,27)(H,29,33)
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82n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12768
PNG
(N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbami...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(Cn2ccnc2)cc1C(=O)Nc1ccc(cc1)-n1cnc2ccccc12
Show InChI InChI=1S/C28H23N9O/c29-27(30)19-4-3-5-23(14-19)37-26(15-21(34-37)16-35-13-12-31-17-35)28(38)33-20-8-10-22(11-9-20)36-18-32-24-6-1-2-7-25(24)36/h1-15,17-18H,16H2,(H3,29,30)(H,33,38)
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120n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12766
PNG
(1-(3-carbamimidoylphenyl)-N-[4-(2-oxo-2,7a-dihydro...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1c2ccccc2[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C25H18F3N7O2/c26-25(27,28)21-13-20(35(33-21)17-5-3-4-14(12-17)22(29)30)23(36)31-15-8-10-16(11-9-15)34-19-7-2-1-6-18(19)32-24(34)37/h1-13H,(H3,29,30)(H,31,36)(H,32,37)
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190n/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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM12765
PNG
(1-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(1H-indol-...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1ccc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C26H18F4N6O/c27-19-13-17(35-11-10-15-4-1-2-7-21(15)35)8-9-20(19)33-25(37)22-14-23(26(28,29)30)34-36(22)18-6-3-5-16(12-18)24(31)32/h1-14H,(H3,31,32)(H,33,37)
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1.70E+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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX and 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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1.90E+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...


Bioorg Med Chem Lett 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%