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24 similar compounds to monomer 19041

Compile data set for download or QSAR
Wt: 537.6
BDBM18991
Wt: 551.6
BDBM18992
Wt: 565.6
BDBM18993
Wt: 467.5
BDBM19007
Wt: 481.5
BDBM19008
Wt: 495.5
BDBM19009
Wt: 523.6
BDBM19010
Wt: 521.6
BDBM19011
Wt: 551.6
BDBM19012
Wt: 555.6
BDBM19013
Wt: 433.4
BDBM19022
Wt: 459.4
BDBM19023
Purchase
Wt: 523.6
BDBM19036
Wt: 502.6
BDBM19037
Wt: 528.6
BDBM19038
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 18991,18992,18993,19007,19008,19009,19010,19011,19012,19013,19022,19023,19036,19037,19038   
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))
BDBM18991
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C31H31N5O4/c1-40-25-12-10-23(11-13-25)36-29-27(28(33-36)30(32)38)15-17-35(31(29)39)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-34-16-14-24(37)19-34/h2-13,24,37H,14-19H2,1H3,(H2,32,38)/t24-/m1/s1
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0.0700 -13.7n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



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


J Med Chem 50: 5339-56 (2007)


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


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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0.0750 -13.8n/an/an/an/an/a7.425



Bristol-Myers Squibb Company



Assay Description
Inhibition of peptide substrate cleavage by FXa was assayed against six concentrations of S2765 and six concentrations of apixaban. Typical assays we...


J Enzyme Inhib Med Chem 26: 514-26 (2011)


Article DOI: 10.3109/14756366.2010.535793
BindingDB Entry DOI: 10.7270/Q2VX0FDF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


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



Bristol-Myers Squibb Company

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



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of purified human factor Xa


Bioorg Med Chem Lett 24: 3341-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.101
BindingDB Entry DOI: 10.7270/Q2Z039R1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


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



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human coagulation factor 10a


Bioorg Med Chem Lett 19: 462-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.049
BindingDB Entry DOI: 10.7270/Q2M908HB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


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



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


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



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 20: 1373-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.011
BindingDB Entry DOI: 10.7270/Q2FQ9WQG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


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



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 17: 4419-27 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.029
BindingDB Entry DOI: 10.7270/Q2416XVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


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



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 2845-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.092
BindingDB Entry DOI: 10.7270/Q2611169
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


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



Bristol-Myers Squibb Company



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


J Med Chem 50: 5339-56 (2007)


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


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



Bristol-Myers Squibb Company



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


J Med Chem 50: 5339-56 (2007)


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


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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0.140 -13.7n/an/an/an/an/a7.431



Bristol-Myers Squibb Company



Assay Description
Inhibition of peptide substrate cleavage by FXa was assayed against six concentrations of S2765 and six concentrations of apixaban. Typical assays we...


J Enzyme Inhib Med Chem 26: 514-26 (2011)


Article DOI: 10.3109/14756366.2010.535793
BindingDB Entry DOI: 10.7270/Q2VX0FDF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


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



Bristol-Myers Squibb Company



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


J Med Chem 50: 5339-56 (2007)


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


(Homo sapiens (Human))
BDBM19008
PNG
(1-(4-methoxyphenyl)-6-(4-{2-[(methylamino)methyl]p...)
Show SMILES CNCc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O
Show InChI InChI=1S/C28H27N5O3/c1-30-17-19-5-3-4-6-23(19)18-7-9-20(10-8-18)32-16-15-24-25(27(29)34)31-33(26(24)28(32)35)21-11-13-22(36-2)14-12-21/h3-14,30H,15-17H2,1-2H3,(H2,29,34)
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0.150n/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))
BDBM19009
PNG
(6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN(C)C
Show InChI InChI=1S/C29H29N5O3/c1-32(2)18-20-6-4-5-7-24(20)19-8-10-21(11-9-19)33-17-16-25-26(28(30)35)31-34(27(25)29(33)36)22-12-14-23(37-3)15-13-22/h4-15H,16-18H2,1-3H3,(H2,30,35)
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0.240n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 50: 5339-56 (2007)


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


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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0.25 -13.6n/an/an/an/an/a7.437



Bristol-Myers Squibb Company



Assay Description
Inhibition of peptide substrate cleavage by FXa was assayed against six concentrations of S2765 and six concentrations of apixaban. Typical assays we...


J Enzyme Inhib Med Chem 26: 514-26 (2011)


Article DOI: 10.3109/14756366.2010.535793
BindingDB Entry DOI: 10.7270/Q2VX0FDF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


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



Bristol-Myers Squibb Company



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


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


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


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



Bristol-Myers Squibb Company



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


J Med Chem 50: 5339-56 (2007)


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


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



Bristol-Myers Squibb Company



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


J Med Chem 50: 5339-56 (2007)


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


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



Bristol-Myers Squibb Company



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


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


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


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



Bristol-Myers Squibb Company



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


J Med Chem 50: 5339-56 (2007)


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


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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0.400 -13.6n/an/an/an/an/a7.443



Bristol-Myers Squibb Company



Assay Description
Inhibition of peptide substrate cleavage by FXa was assayed against six concentrations of S2765 and six concentrations of apixaban. Typical assays we...


J Enzyme Inhib Med Chem 26: 514-26 (2011)


Article DOI: 10.3109/14756366.2010.535793
BindingDB Entry DOI: 10.7270/Q2VX0FDF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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0.410 -12.8n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
For comparison with the prothrombinase reaction the assays were also conducted with S2765 at 25 and 37C in a similar buffer: 20 mM HEPES, pH 7.5 con...


J Enzyme Inhib Med Chem 26: 514-26 (2011)


Article DOI: 10.3109/14756366.2010.535793
BindingDB Entry DOI: 10.7270/Q2VX0FDF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


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



Bristol-Myers Squibb Company



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


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


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


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



Bristol-Myers Squibb Company



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


J Med Chem 50: 5339-56 (2007)


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


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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0.720 -13.0n/an/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
For comparison with the prothrombinase reaction the assays were also conducted with S2765 at 25 and 37C in a similar buffer: 20 mM HEPES, pH 7.5 con...


J Enzyme Inhib Med Chem 26: 514-26 (2011)


Article DOI: 10.3109/14756366.2010.535793
BindingDB Entry DOI: 10.7270/Q2VX0FDF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


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



Bristol-Myers Squibb Company



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


J Med Chem 50: 5339-56 (2007)


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


(Homo sapiens (Human))
BDBM18993
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(C(=O)N(C)C)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C33H35N5O4/c1-35(2)32(40)30-29-17-19-37(33(41)31(29)38(34-30)25-12-14-27(42-3)15-13-25)24-10-8-22(9-11-24)28-7-5-4-6-23(28)20-36-18-16-26(39)21-36/h4-15,26,39H,16-21H2,1-3H3/t26-/m1/s1
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1.70 -11.8n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



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


J Med Chem 50: 5339-56 (2007)


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


(Homo sapiens (Human))
BDBM18992
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES CNC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1ccc(OC)cc1
Show InChI InChI=1S/C32H33N5O4/c1-33-31(39)29-28-16-18-36(32(40)30(28)37(34-29)24-11-13-26(41-2)14-12-24)23-9-7-21(8-10-23)27-6-4-3-5-22(27)19-35-17-15-25(38)20-35/h3-14,25,38H,15-20H2,1-2H3,(H,33,39)/t25-/m1/s1
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4.80 -11.2n/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM18991
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C31H31N5O4/c1-40-25-12-10-23(11-13-25)36-29-27(28(33-36)30(32)38)15-17-35(31(29)39)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-34-16-14-24(37)19-34/h2-13,24,37H,14-19H2,1H3,(H2,32,38)/t24-/m1/s1
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140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



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


J Med Chem 50: 5339-56 (2007)


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


(Homo sapiens (Human))
BDBM19022
PNG
(1-(4-methoxyphenyl)-6-[4-(N-methylacetamido)phenyl...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N(C)C(C)=O
Show InChI InChI=1S/C23H23N5O4/c1-14(29)26(2)15-4-6-16(7-5-15)27-13-12-19-20(22(24)30)25-28(21(19)23(27)31)17-8-10-18(32-3)11-9-17/h4-11H,12-13H2,1-3H3,(H2,24,30)
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2.52E+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))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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3.10E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human factor 2a


Bioorg Med Chem Lett 20: 1373-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.011
BindingDB Entry DOI: 10.7270/Q2FQ9WQG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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3.10E+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))
BDBM18992
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES CNC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1ccc(OC)cc1
Show InChI InChI=1S/C32H33N5O4/c1-33-31(39)29-28-16-18-36(32(40)30(28)37(34-29)24-11-13-26(41-2)14-12-24)23-9-7-21(8-10-23)27-6-4-3-5-22(27)19-35-17-15-25(38)20-35/h3-14,25,38H,15-20H2,1-2H3,(H,33,39)/t25-/m1/s1
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7.00E+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))
BDBM18993
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(C(=O)N(C)C)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1
Show InChI InChI=1S/C33H35N5O4/c1-35(2)32(40)30-29-17-19-37(33(41)31(29)38(34-30)25-12-14-27(42-3)15-13-25)24-10-8-22(9-11-24)28-7-5-4-6-23(28)20-36-18-16-26(39)21-36/h4-15,26,39H,16-21H2,1-3H3/t26-/m1/s1
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PubMed
1.10E+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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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n/an/a 210n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human F10a assessed as decrease in p-nitroaniline cleavage from pefachrome F10a preincubated for 10 mins followed by substrate addition...


Bioorg Med Chem 25: 2800-2810 (2017)


Article DOI: 10.1016/j.bmc.2017.03.055
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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n/an/a 230n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a assessed as reduction in p-nitroaniline cleavage from pefachrome substrate preincubated for 10 mins follow...


Bioorg Med Chem 24: 5646-5661 (2016)


Article DOI: 10.1016/j.bmc.2016.09.024
BindingDB Entry DOI: 10.7270/Q2VX0JGK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)