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Compile Data Set for Download or QSAR

Found 126 hits from 3-Dimensional Pharmaceuticals, Inc.   
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
Prothrombin


(Homo sapiens (Human))
BDBM50126647
PNG
(3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-...)
Show SMILES Cc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C17H20ClN3O5S/c1-12-9-13(24-7-4-8-25-21-17(19)20)11-14(10-12)26-27(22,23)16-6-3-2-5-15(16)18/h2-3,5-6,9-11H,4,7-8H2,1H3,(H4,19,20,21)
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2.10n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against alpha-human thrombin


Bioorg Med Chem Lett 13: 1495-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00125-2
BindingDB Entry DOI: 10.7270/Q2668CJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149022
PNG
(CHEMBL421081 | Oxyguanidine derivative)
Show SMILES Cc1cc(OCC2(CONC(N)=N)CC2)cc(c1)C(=O)N(CC1CC1)Cc1ccoc1
Show InChI InChI=1S/C23H30N4O4/c1-16-8-19(21(28)27(11-17-2-3-17)12-18-4-7-29-13-18)10-20(9-16)30-14-23(5-6-23)15-31-26-22(24)25/h4,7-10,13,17H,2-3,5-6,11-12,14-15H2,1H3,(H4,24,25,26)
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4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149023
PNG
(3-{[1-({[(diaminomethylidene)amino]oxy}methyl)cycl...)
Show SMILES CCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCC2(CONC(N)=N)CC2)c1
Show InChI InChI=1S/C22H30N4O4/c1-3-7-26(12-17-4-8-28-13-17)20(27)18-9-16(2)10-19(11-18)29-14-22(5-6-22)15-30-25-21(23)24/h4,8-11,13H,3,5-7,12,14-15H2,1-2H3,(H4,23,24,25)
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4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126640
PNG
(3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-...)
Show SMILES Cc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C23H25N3O7S2/c1-17-14-18(31-12-7-13-32-26-23(24)25)16-19(15-17)33-35(29,30)22-11-6-5-10-21(22)34(27,28)20-8-3-2-4-9-20/h2-6,8-11,14-16H,7,12-13H2,1H3,(H4,24,25,26)
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4.80n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against alpha-human thrombin


Bioorg Med Chem Lett 13: 1495-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00125-2
BindingDB Entry DOI: 10.7270/Q2668CJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149020
PNG
(CHEMBL122696 | Oxyguanidine derivative)
Show SMILES CCSCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1
Show InChI InChI=1S/C21H30N4O4S/c1-3-30-10-6-25(14-17-5-9-27-15-17)20(26)18-11-16(2)12-19(13-18)28-7-4-8-29-24-21(22)23/h5,9,11-13,15H,3-4,6-8,10,14H2,1-2H3,(H4,22,23,24)
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6n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149015
PNG
(CHEMBL122144 | Oxyguanidine derivative)
Show SMILES CCN(C1CCCCC1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1
Show InChI InChI=1S/C20H32N4O3/c1-3-24(17-8-5-4-6-9-17)19(25)16-12-15(2)13-18(14-16)26-10-7-11-27-23-20(21)22/h12-14,17H,3-11H2,1-2H3,(H4,21,22,23)
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6n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126634
PNG
(3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-...)
Show SMILES Cc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2cccc3cccnc23)c1
Show InChI InChI=1S/C20H22N4O5S/c1-14-11-16(27-9-4-10-28-24-20(21)22)13-17(12-14)29-30(25,26)18-7-2-5-15-6-3-8-23-19(15)18/h2-3,5-8,11-13H,4,9-10H2,1H3,(H4,21,22,24)
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6.70n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against alpha-human thrombin


Bioorg Med Chem Lett 13: 1495-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00125-2
BindingDB Entry DOI: 10.7270/Q2668CJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126642
PNG
(3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-...)
Show SMILES COc1ccccc1S(=O)(=O)Oc1cc(C)cc(OCCCONC(N)=N)c1
Show InChI InChI=1S/C18H23N3O6S/c1-13-10-14(25-8-5-9-26-21-18(19)20)12-15(11-13)27-28(22,23)17-7-4-3-6-16(17)24-2/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H4,19,20,21)
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6.70n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against alpha-human thrombin


Bioorg Med Chem Lett 13: 1495-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00125-2
BindingDB Entry DOI: 10.7270/Q2668CJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50148990
PNG
(CHEMBL421243 | Oxyguanidine derivative)
Show SMILES CC(C)CCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1
Show InChI InChI=1S/C22H32N4O4/c1-16(2)5-7-26(14-18-6-10-28-15-18)21(27)19-11-17(3)12-20(13-19)29-8-4-9-30-25-22(23)24/h6,10-13,15-16H,4-5,7-9,14H2,1-3H3,(H4,23,24,25)
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7n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126652
PNG
(2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-...)
Show SMILES Cc1cc(OCC2(CONC(N)=N)CC2)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1
Show InChI InChI=1S/C20H25N3O7S2/c1-14-9-15(28-12-20(7-8-20)13-29-23-19(21)22)11-16(10-14)30-32(26,27)18-6-4-3-5-17(18)31(2,24)25/h3-6,9-11H,7-8,12-13H2,1-2H3,(H4,21,22,23)
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7.70n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against alpha-human thrombin


Bioorg Med Chem Lett 13: 1495-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00125-2
BindingDB Entry DOI: 10.7270/Q2668CJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149008
PNG
(CHEMBL122205 | Oxyguanidine derivative)
Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CCCCCC(N)=O)C1CCCCC1
Show InChI InChI=1S/C24H39N5O4/c1-18-15-19(17-21(16-18)32-13-8-14-33-28-24(26)27)23(31)29(20-9-4-2-5-10-20)12-7-3-6-11-22(25)30/h15-17,20H,2-14H2,1H3,(H2,25,30)(H4,26,27,28)
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8n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50148994
PNG
(CHEMBL421096 | Oxyguanidine derivative)
Show SMILES CCCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1
Show InChI InChI=1S/C21H30N4O4/c1-3-4-7-25(14-17-6-10-27-15-17)20(26)18-11-16(2)12-19(13-18)28-8-5-9-29-24-21(22)23/h6,10-13,15H,3-5,7-9,14H2,1-2H3,(H4,22,23,24)
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8n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149017
PNG
(CHEMBL341539 | Oxyguanidine derivative)
Show SMILES CCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1
Show InChI InChI=1S/C20H28N4O4/c1-3-6-24(13-16-5-9-26-14-16)19(25)17-10-15(2)11-18(12-17)27-7-4-8-28-23-20(21)22/h5,9-12,14H,3-4,6-8,13H2,1-2H3,(H4,21,22,23)
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9n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50148988
PNG
(CHEMBL123028 | Oxyguanidine derivative)
Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC=C)C1CCCCC1
Show InChI InChI=1S/C21H32N4O3/c1-3-10-25(18-8-5-4-6-9-18)20(26)17-13-16(2)14-19(15-17)27-11-7-12-28-24-21(22)23/h3,13-15,18H,1,4-12H2,2H3,(H4,22,23,24)
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9n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126650
PNG
(3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-...)
Show SMILES Cc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2ccccc2C#N)c1
Show InChI InChI=1S/C18H20N4O5S/c1-13-9-15(25-7-4-8-26-22-18(20)21)11-16(10-13)27-28(23,24)17-6-3-2-5-14(17)12-19/h2-3,5-6,9-11H,4,7-8H2,1H3,(H4,20,21,22)
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9.90n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against alpha-human thrombin


Bioorg Med Chem Lett 13: 1495-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00125-2
BindingDB Entry DOI: 10.7270/Q2668CJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149032
PNG
(CHEMBL123226 | Oxyguanidine derivative)
Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC=C)C1CCCC1
Show InChI InChI=1S/C20H30N4O3/c1-3-9-24(17-7-4-5-8-17)19(25)16-12-15(2)13-18(14-16)26-10-6-11-27-23-20(21)22/h3,12-14,17H,1,4-11H2,2H3,(H4,21,22,23)
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10n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50148999
PNG
(CHEMBL121892 | Oxyguanidine derivative)
Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC1CC1)Cc1ccoc1
Show InChI InChI=1S/C21H28N4O4/c1-15-9-18(11-19(10-15)28-6-2-7-29-24-21(22)23)20(26)25(12-16-3-4-16)13-17-5-8-27-14-17/h5,8-11,14,16H,2-4,6-7,12-13H2,1H3,(H4,22,23,24)
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11n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126635
PNG
(3-[3-({[(Z)-amino(imino)methyl]amino}oxy)ethoxy]-5...)
Show SMILES Cc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1
Show InChI InChI=1S/C18H23N3O7S2/c1-13-10-14(26-8-5-9-27-21-18(19)20)12-15(11-13)28-30(24,25)17-7-4-3-6-16(17)29(2,22)23/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H4,19,20,21)
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12n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against alpha-human thrombin


Bioorg Med Chem Lett 13: 1495-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00125-2
BindingDB Entry DOI: 10.7270/Q2668CJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126651
PNG
(3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-...)
Show SMILES Cc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2cccc3cnccc23)c1
Show InChI InChI=1S/C20H22N4O5S/c1-14-10-16(27-8-3-9-28-24-20(21)22)12-17(11-14)29-30(25,26)19-5-2-4-15-13-23-7-6-18(15)19/h2,4-7,10-13H,3,8-9H2,1H3,(H4,21,22,24)
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13n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against alpha-human thrombin


Bioorg Med Chem Lett 13: 1495-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00125-2
BindingDB Entry DOI: 10.7270/Q2668CJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50148987
PNG
(CHEMBL125772 | Oxyguanidine derivative)
Show SMILES CCCN(CC1CCC1)C(=O)c1cc(Cl)cc(OCCCONC(N)=N)c1
Show InChI InChI=1S/C19H29ClN4O3/c1-2-7-24(13-14-5-3-6-14)18(25)15-10-16(20)12-17(11-15)26-8-4-9-27-23-19(21)22/h10-12,14H,2-9,13H2,1H3,(H4,21,22,23)
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16n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149027
PNG
(CHEMBL121686 | Oxyguanidine derivative)
Show SMILES CCCN(CC1CCC1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1
Show InChI InChI=1S/C20H32N4O3/c1-3-8-24(14-16-6-4-7-16)19(25)17-11-15(2)12-18(13-17)26-9-5-10-27-23-20(21)22/h11-13,16H,3-10,14H2,1-2H3,(H4,21,22,23)
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17n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149034
PNG
(CHEMBL124164 | Oxyguanidine derivative)
Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CC1CC1)Cc1ccoc1
Show InChI InChI=1S/C20H25ClN4O4/c21-17-8-16(9-18(10-17)28-5-1-6-29-24-20(22)23)19(26)25(11-14-2-3-14)12-15-4-7-27-13-15/h4,7-10,13-14H,1-3,5-6,11-12H2,(H4,22,23,24)
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17n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149019
PNG
(CHEMBL123453 | Oxyguanidine derivative)
Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CC=C)Cc1ccoc1
Show InChI InChI=1S/C19H23ClN4O4/c1-2-5-24(12-14-4-8-26-13-14)18(25)15-9-16(20)11-17(10-15)27-6-3-7-28-23-19(21)22/h2,4,8-11,13H,1,3,5-7,12H2,(H4,21,22,23)
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20n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149003
PNG
(CHEMBL123440 | N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY...)
Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CC=C)C1CCCC1
Show InChI InChI=1S/C19H27ClN4O3/c1-2-8-24(16-6-3-4-7-16)18(25)14-11-15(20)13-17(12-14)26-9-5-10-27-23-19(21)22/h2,11-13,16H,1,3-10H2,(H4,21,22,23)
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21n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149000
PNG
(CHEMBL332660 | Oxyguanidine derivative)
Show SMILES CCCN(Cc1ccc(F)cc1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1
Show InChI InChI=1S/C22H29FN4O3/c1-3-9-27(15-17-5-7-19(23)8-6-17)21(28)18-12-16(2)13-20(14-18)29-10-4-11-30-26-22(24)25/h5-8,12-14H,3-4,9-11,15H2,1-2H3,(H4,24,25,26)
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21n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149014
PNG
(CHEMBL121817 | Oxyguanidine derivative)
Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC1CCCCC1)Cc1ccoc1
Show InChI InChI=1S/C24H34N4O4/c1-18-12-21(14-22(13-18)31-9-5-10-32-27-24(25)26)23(29)28(16-20-8-11-30-17-20)15-19-6-3-2-4-7-19/h8,11-14,17,19H,2-7,9-10,15-16H2,1H3,(H4,25,26,27)
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21n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149002
PNG
(CHEMBL330788 | Oxyguanidine derivative)
Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(Cc1ccoc1)C1CCC1
Show InChI InChI=1S/C21H28N4O4/c1-15-10-17(12-19(11-15)28-7-3-8-29-24-21(22)23)20(26)25(18-4-2-5-18)13-16-6-9-27-14-16/h6,9-12,14,18H,2-5,7-8,13H2,1H3,(H4,22,23,24)
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22n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149010
PNG
(CHEMBL339909 | Oxyguanidine derivative)
Show SMILES CCCN(CC1CC1)C(=O)c1cc(Cl)cc(OCCCONC(N)=N)c1
Show InChI InChI=1S/C18H27ClN4O3/c1-2-6-23(12-13-4-5-13)17(24)14-9-15(19)11-16(10-14)25-7-3-8-26-22-18(20)21/h9-11,13H,2-8,12H2,1H3,(H4,20,21,22)
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23n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149037
PNG
(CHEMBL125603 | Oxyguanidine derivative)
Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC1CC1)Cc1ccncc1
Show InChI InChI=1S/C22H29N5O3/c1-16-11-19(13-20(12-16)29-9-2-10-30-26-22(23)24)21(28)27(14-17-3-4-17)15-18-5-7-25-8-6-18/h5-8,11-13,17H,2-4,9-10,14-15H2,1H3,(H4,23,24,26)
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24n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149029
PNG
(CHEMBL331769 | Oxyguanidine derivative)
Show SMILES COCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1
Show InChI InChI=1S/C20H28N4O5/c1-15-10-17(12-18(11-15)28-6-3-7-29-23-20(21)22)19(25)24(5-9-26-2)13-16-4-8-27-14-16/h4,8,10-12,14H,3,5-7,9,13H2,1-2H3,(H4,21,22,23)
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28n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126645
PNG
(3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-...)
Show SMILES CCc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1
Show InChI InChI=1S/C19H25N3O7S2/c1-3-14-11-15(27-9-6-10-28-22-19(20)21)13-16(12-14)29-31(25,26)18-8-5-4-7-17(18)30(2,23)24/h4-5,7-8,11-13H,3,6,9-10H2,1-2H3,(H4,20,21,22)
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30n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against alpha-human thrombin


Bioorg Med Chem Lett 13: 1495-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00125-2
BindingDB Entry DOI: 10.7270/Q2668CJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126641
PNG
(3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-...)
Show SMILES Cc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2cccc3CCCNc23)c1
Show InChI InChI=1S/C20H26N4O5S/c1-14-11-16(27-9-4-10-28-24-20(21)22)13-17(12-14)29-30(25,26)18-7-2-5-15-6-3-8-23-19(15)18/h2,5,7,11-13,23H,3-4,6,8-10H2,1H3,(H4,21,22,24)
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31n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against alpha-human thrombin


Bioorg Med Chem Lett 13: 1495-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00125-2
BindingDB Entry DOI: 10.7270/Q2668CJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149012
PNG
(CHEMBL333182 | Oxyguanidine derivative)
Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC1CC1)Cc1ccsc1
Show InChI InChI=1S/C21H28N4O3S/c1-15-9-18(11-19(10-15)27-6-2-7-28-24-21(22)23)20(26)25(12-16-3-4-16)13-17-5-8-29-14-17/h5,8-11,14,16H,2-4,6-7,12-13H2,1H3,(H4,22,23,24)
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31n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126654
PNG
(3-({2-[({[(Z)-amino(imino)methyl]amino}oxy)methyl]...)
Show SMILES Cc1cc(OCC(=C)CONC(N)=N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1
Show InChI InChI=1S/C19H23N3O7S2/c1-13-8-15(27-11-14(2)12-28-22-19(20)21)10-16(9-13)29-31(25,26)18-7-5-4-6-17(18)30(3,23)24/h4-10H,2,11-12H2,1,3H3,(H4,20,21,22)
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32n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against alpha-human thrombin


Bioorg Med Chem Lett 13: 1495-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00125-2
BindingDB Entry DOI: 10.7270/Q2668CJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149009
PNG
(CHEMBL338284 | Oxyguanidine derivative)
Show SMILES CN(C1CCCCC1)C(=O)c1cc(Cl)cc(OCCCONC(N)=N)c1
Show InChI InChI=1S/C18H27ClN4O3/c1-23(15-6-3-2-4-7-15)17(24)13-10-14(19)12-16(11-13)25-8-5-9-26-22-18(20)21/h10-12,15H,2-9H2,1H3,(H4,20,21,22)
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33n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149035
PNG
(CHEMBL122162 | Oxyguanidine derivative)
Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC1CC1)Cc1cccnc1
Show InChI InChI=1S/C22H29N5O3/c1-16-10-19(12-20(11-16)29-8-3-9-30-26-22(23)24)21(28)27(14-17-5-6-17)15-18-4-2-7-25-13-18/h2,4,7,10-13,17H,3,5-6,8-9,14-15H2,1H3,(H4,23,24,26)
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34n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126636
PNG
(3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-...)
Show SMILES COc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1
Show InChI InChI=1S/C18H23N3O8S2/c1-26-13-10-14(27-8-5-9-28-21-18(19)20)12-15(11-13)29-31(24,25)17-7-4-3-6-16(17)30(2,22)23/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H4,19,20,21)
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35n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against alpha-human thrombin


Bioorg Med Chem Lett 13: 1495-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00125-2
BindingDB Entry DOI: 10.7270/Q2668CJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50148991
PNG
(CHEMBL124500 | Oxyguanidine derivative)
Show SMILES CCCN(CC1CCCC1)C(=O)c1cc(Cl)cc(OCCCONC(N)=N)c1
Show InChI InChI=1S/C20H31ClN4O3/c1-2-8-25(14-15-6-3-4-7-15)19(26)16-11-17(21)13-18(12-16)27-9-5-10-28-24-20(22)23/h11-13,15H,2-10,14H2,1H3,(H4,22,23,24)
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38n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50148986
PNG
(CHEMBL122553 | Oxyguanidine derivative)
Show SMILES COC(=O)CCN(CC1CC1)C(=O)c1cc(Cl)cc(OCCCONC(N)=N)c1
Show InChI InChI=1S/C19H27ClN4O5/c1-27-17(25)5-6-24(12-13-3-4-13)18(26)14-9-15(20)11-16(10-14)28-7-2-8-29-23-19(21)22/h9-11,13H,2-8,12H2,1H3,(H4,21,22,23)
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38n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126644
PNG
(3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-...)
Show SMILES CS(=O)(=O)c1ccccc1S(=O)(=O)Oc1cc(Cl)cc(OCCCONC(N)=N)c1
Show InChI InChI=1S/C17H20ClN3O7S2/c1-29(22,23)15-5-2-3-6-16(15)30(24,25)28-14-10-12(18)9-13(11-14)26-7-4-8-27-21-17(19)20/h2-3,5-6,9-11H,4,7-8H2,1H3,(H4,19,20,21)
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39n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against alpha-human thrombin


Bioorg Med Chem Lett 13: 1495-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00125-2
BindingDB Entry DOI: 10.7270/Q2668CJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50148998
PNG
(CHEMBL420912 | Oxyguanidine derivative)
Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CCc1cccnc1)CC1CC1
Show InChI InChI=1S/C22H28ClN5O3/c23-19-11-18(12-20(13-19)30-9-2-10-31-27-22(24)25)21(29)28(15-17-4-5-17)8-6-16-3-1-7-26-14-16/h1,3,7,11-14,17H,2,4-6,8-10,15H2,(H4,24,25,27)
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47n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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48n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50126638
PNG
(3-({1-[({[(Z)-amino(imino)methyl]amino}oxy)methyl]...)
Show SMILES CS(=O)(=O)c1ccccc1S(=O)(=O)Oc1cc(F)cc(OCC2(CONC(N)=N)CC2)c1
Show InChI InChI=1S/C19H22FN3O7S2/c1-31(24,25)16-4-2-3-5-17(16)32(26,27)30-15-9-13(20)8-14(10-15)28-11-19(6-7-19)12-29-23-18(21)22/h2-5,8-10H,6-7,11-12H2,1H3,(H4,21,22,23)
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49n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was tested against alpha-human thrombin


Bioorg Med Chem Lett 13: 1495-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00125-2
BindingDB Entry DOI: 10.7270/Q2668CJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149021
PNG
(CHEMBL122276 | Oxyguanidine derivative)
Show SMILES CCCN(Cc1cccnc1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1
Show InChI InChI=1S/C21H29N5O3/c1-3-8-26(15-17-6-4-7-24-14-17)20(27)18-11-16(2)12-19(13-18)28-9-5-10-29-25-21(22)23/h4,6-7,11-14H,3,5,8-10,15H2,1-2H3,(H4,22,23,25)
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52n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149018
PNG
(CHEMBL126096 | Oxyguanidine derivative)
Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CCc1ccncc1)CC1CC1
Show InChI InChI=1S/C22H28ClN5O3/c23-19-12-18(13-20(14-19)30-10-1-11-31-27-22(24)25)21(29)28(15-17-2-3-17)9-6-16-4-7-26-8-5-16/h4-5,7-8,12-14,17H,1-3,6,9-11,15H2,(H4,24,25,27)
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52n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149025
PNG
(CHEMBL334315 | Oxyguanidine derivative)
Show SMILES NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CCc1ccccn1)CC1CC1
Show InChI InChI=1S/C22H28ClN5O3/c23-18-12-17(13-20(14-18)30-10-3-11-31-27-22(24)25)21(29)28(15-16-5-6-16)9-7-19-4-1-2-8-26-19/h1-2,4,8,12-14,16H,3,5-7,9-11,15H2,(H4,24,25,27)
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59n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50098163
PNG
(5-Methylsulfanyl-4-[2-(4-phenoxy-phenylamino)-thia...)
Show SMILES CSc1sc(cc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1)C(N)=N
Show InChI InChI=1S/C21H18N4OS3/c1-27-20-16(11-18(29-20)19(22)23)17-12-28-21(25-17)24-13-7-9-15(10-8-13)26-14-5-3-2-4-6-14/h2-12H,1H3,(H3,22,23)(H,24,25)
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60n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 915-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00102-0
BindingDB Entry DOI: 10.7270/Q2J67G5B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149007
PNG
(CHEMBL122029 | Oxyguanidine derivative)
Show SMILES CCOC(=O)CCN(CC1CC1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1
Show InChI InChI=1S/C21H32N4O5/c1-3-28-19(26)7-8-25(14-16-5-6-16)20(27)17-11-15(2)12-18(13-17)29-9-4-10-30-24-21(22)23/h11-13,16H,3-10,14H2,1-2H3,(H4,22,23,24)
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65n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50149036
PNG
(CHEMBL332232 | Oxyguanidine derivative)
Show SMILES CC(C)N(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1
Show InChI InChI=1S/C20H28N4O4/c1-14(2)24(12-16-5-8-26-13-16)19(25)17-9-15(3)10-18(11-17)27-6-4-7-28-23-20(21)22/h5,8-11,13-14H,4,6-7,12H2,1-3H3,(H4,21,22,23)
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68n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 14: 3727-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.002
BindingDB Entry DOI: 10.7270/Q2D79C0Q
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50098169
PNG
(5-Methylsulfanyl-4-[2-(4-phenylamino-phenylamino)-...)
Show SMILES CSc1sc(cc1-c1csc(Nc2ccc(Nc3ccccc3)cc2)n1)C(N)=N
Show InChI InChI=1S/C21H19N5S3/c1-27-20-16(11-18(29-20)19(22)23)17-12-28-21(26-17)25-15-9-7-14(8-10-15)24-13-5-3-2-4-6-13/h2-12,24H,1H3,(H3,22,23)(H,25,26)
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70n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 915-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00102-0
BindingDB Entry DOI: 10.7270/Q2J67G5B
More data for this
Ligand-Target Pair
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