Found 551 hits with Last Name = 'markotan' and Initial = 't' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Prothrombin
(Homo sapiens (Human)) | BDBM50312651
(1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...)Show SMILES [#6]-c1cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C18H23F2N7O3/c1-12-9-24-15(25-11-18(19,20)13-5-3-2-4-6-13)16(29)27(12)10-14(28)23-7-8-30-26-17(21)22/h2-6,9H,7-8,10-11H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human alpha-thrombin |
J Med Chem 53: 1843-56 (2010)
Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50231280
(1-(3-cyano-4-fluorophenyl)-6-[4-(3-dimethylaminome...)Show SMILES CN(C)Cc1[nH]ncc1-c1ccc(c(F)c1)-c1ccc2c(nn(-c3ccc4onc(N)c4c3)c2c1F)C(N)=O Show InChI InChI=1S/C27H22F2N8O2/c1-36(2)12-21-19(11-32-33-21)13-3-5-15(20(28)9-13)16-6-7-17-24(27(31)38)34-37(25(17)23(16)29)14-4-8-22-18(10-14)26(30)35-39-22/h3-11H,12H2,1-2H3,(H2,30,35)(H2,31,38)(H,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
J Med Chem 51: 282-97 (2008)
Article DOI: 10.1021/jm701217r BindingDB Entry DOI: 10.7270/Q2K64HTF |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12676
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...)Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
J Med Chem 51: 282-97 (2008)
Article DOI: 10.1021/jm701217r BindingDB Entry DOI: 10.7270/Q2K64HTF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12676
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...)Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
J Med Chem 51: 282-97 (2008)
Article DOI: 10.1021/jm701217r BindingDB Entry DOI: 10.7270/Q2K64HTF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prothrombin
(Homo sapiens (Human)) | BDBM50312653
(1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(Cl)cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O Show InChI InChI=1S/C17H20ClF2N7O3/c18-12-8-24-14(25-10-17(19,20)11-4-2-1-3-5-11)15(29)27(12)9-13(28)23-6-7-30-26-16(21)22/h1-5,8H,6-7,9-10H2,(H,23,28)(H,24,25)(H4,21,22,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human alpha-thrombin |
J Med Chem 53: 1843-56 (2010)
Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50312652
(1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O)C#N Show InChI InChI=1S/C18H20F2N8O3/c19-18(20,12-4-2-1-3-5-12)11-26-15-16(30)28(13(8-21)9-25-15)10-14(29)24-6-7-31-27-17(22)23/h1-5,9H,6-7,10-11H2,(H,24,29)(H,25,26)(H4,22,23,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human alpha-thrombin |
J Med Chem 53: 1843-56 (2010)
Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50231282
(1-(3-aminobenzo[d]isoxazol-5-yl)-6-[4-(3-dimethyla...)Show SMILES CN(C)Cc1cnccc1-c1ccc(c(F)c1)-c1ccc2c(nn(-c3ccc4onc(N)c4c3)c2c1F)C(N)=O Show InChI InChI=1S/C29H23F2N7O2/c1-37(2)14-16-13-34-10-9-18(16)15-3-5-19(23(30)11-15)20-6-7-21-26(29(33)39)35-38(27(21)25(20)31)17-4-8-24-22(12-17)28(32)36-40-24/h3-13H,14H2,1-2H3,(H2,32,36)(H2,33,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
J Med Chem 51: 282-97 (2008)
Article DOI: 10.1021/jm701217r BindingDB Entry DOI: 10.7270/Q2K64HTF |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50149022
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50231275
(1-(3-aminobenzo[d]isoxazol-5-yl)-7-fluoro-6-[2-flu...)Show SMILES CN(c1ccncc1)c1ccc(c(F)c1)-c1ccc2c(nn(-c3ccc4onc(N)c4c3)c2c1F)C(N)=O Show InChI InChI=1S/C27H19F2N7O2/c1-35(14-8-10-32-11-9-14)15-2-4-17(21(28)13-15)18-5-6-19-24(27(31)37)33-36(25(19)23(18)29)16-3-7-22-20(12-16)26(30)34-38-22/h2-13H,1H3,(H2,30,34)(H2,31,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
J Med Chem 51: 282-97 (2008)
Article DOI: 10.1021/jm701217r BindingDB Entry DOI: 10.7270/Q2K64HTF |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50231284
(1-(3-aminobenzo[d]isoxazol-5-yl)-6-[4-(2-dimethyla...)Show SMILES CN(C)Cc1ncccc1-c1ccc(c(F)c1)-c1ccc2c(nn(-c3ccc4onc(N)c4c3)c2c1F)C(N)=O Show InChI InChI=1S/C29H23F2N7O2/c1-37(2)14-23-17(4-3-11-34-23)15-5-7-18(22(30)12-15)19-8-9-20-26(29(33)39)35-38(27(20)25(19)31)16-6-10-24-21(13-16)28(32)36-40-24/h3-13H,14H2,1-2H3,(H2,32,36)(H2,33,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
J Med Chem 51: 282-97 (2008)
Article DOI: 10.1021/jm701217r BindingDB Entry DOI: 10.7270/Q2K64HTF |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50231271
(1-(3-aminobenzo[d]isoxazol-5-yl)-6-{4-[(2-dimethyl...)Show SMILES CN(C)CCN(c1ccncc1)c1ccc(c(F)c1)-c1ccc2c(nn(-c3ccc4onc(N)c4c3)c2c1F)C(N)=O Show InChI InChI=1S/C30H26F2N8O2/c1-38(2)13-14-39(17-9-11-35-12-10-17)18-3-5-20(24(31)16-18)21-6-7-22-27(30(34)41)36-40(28(22)26(21)32)19-4-8-25-23(15-19)29(33)37-42-25/h3-12,15-16H,13-14H2,1-2H3,(H2,33,37)(H2,34,41) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
J Med Chem 51: 282-97 (2008)
Article DOI: 10.1021/jm701217r BindingDB Entry DOI: 10.7270/Q2K64HTF |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50231279
(1-(3-aminobenzo[d]isoxazol-5-yl)-6-{4-[(3-dimethyl...)Show SMILES CN(C)CCCN(c1ccncc1)c1ccc(c(F)c1)-c1ccc2c(nn(-c3ccc4onc(N)c4c3)c2c1F)C(N)=O Show InChI InChI=1S/C31H28F2N8O2/c1-39(2)14-3-15-40(18-10-12-36-13-11-18)19-4-6-21(25(32)17-19)22-7-8-23-28(31(35)42)37-41(29(23)27(22)33)20-5-9-26-24(16-20)30(34)38-43-26/h4-13,16-17H,3,14-15H2,1-2H3,(H2,34,38)(H2,35,42) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
J Med Chem 51: 282-97 (2008)
Article DOI: 10.1021/jm701217r BindingDB Entry DOI: 10.7270/Q2K64HTF |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50149020
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50231283
(1-(3-aminobenzo[d]isoxazol-5-yl)-7-fluoro-6-[2-flu...)Show SMILES NC(=O)c1nn(-c2ccc3onc(N)c3c2)c2c(F)c(ccc12)-c1ccc(cc1F)N1CCCCC1=O Show InChI InChI=1S/C26H20F2N6O3/c27-19-12-13(33-10-2-1-3-21(33)35)4-6-15(19)16-7-8-17-23(26(30)36)31-34(24(17)22(16)28)14-5-9-20-18(11-14)25(29)32-37-20/h4-9,11-12H,1-3,10H2,(H2,29,32)(H2,30,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
J Med Chem 51: 282-97 (2008)
Article DOI: 10.1021/jm701217r BindingDB Entry DOI: 10.7270/Q2K64HTF |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50312663
(1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...)Show SMILES [#6]-c1cnc(-[#7]-[#6]-[#6](-c2ccccc2)-c2ccccc2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C24H29N7O3/c1-17-14-28-22(23(33)31(17)16-21(32)27-12-13-34-30-24(25)26)29-15-20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,14,20H,12-13,15-16H2,1H3,(H,27,32)(H,28,29)(H4,25,26,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human alpha-thrombin |
J Med Chem 53: 1843-56 (2010)
Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50148990
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50149008
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50231270
(1-(3-aminobenzo[d]isoxazol-5-yl)-6-(2'-dimethylami...)Show SMILES CN(C)Cc1ccccc1-c1ccc(c(F)c1)-c1ccc2c(nn(-c3ccc4onc(N)c4c3)c2c1F)C(N)=O Show InChI InChI=1S/C30H24F2N6O2/c1-37(2)15-17-5-3-4-6-19(17)16-7-9-20(24(31)13-16)21-10-11-22-27(30(34)39)35-38(28(22)26(21)32)18-8-12-25-23(14-18)29(33)36-40-25/h3-14H,15H2,1-2H3,(H2,33,36)(H2,34,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
J Med Chem 51: 282-97 (2008)
Article DOI: 10.1021/jm701217r BindingDB Entry DOI: 10.7270/Q2K64HTF |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50149017
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50149032
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50312658
(1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...)Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-c2ncc(-[#6])n(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7])c2=O)cc1 Show InChI InChI=1S/C19H27N7O4/c1-13-11-24-17(23-8-7-14-3-5-15(29-2)6-4-14)18(28)26(13)12-16(27)22-9-10-30-25-19(20)21/h3-6,11H,7-10,12H2,1-2H3,(H,22,27)(H,23,24)(H4,20,21,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human alpha-thrombin |
J Med Chem 53: 1843-56 (2010)
Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50148999
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50312662
(1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...)Show SMILES [#6]-c1cnc(-[#7]-[#6]-[#6]-c2cccc3ccccc23)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C22H27N7O3/c1-15-13-27-20(21(31)29(15)14-19(30)25-11-12-32-28-22(23)24)26-10-9-17-7-4-6-16-5-2-3-8-18(16)17/h2-8,13H,9-12,14H2,1H3,(H,25,30)(H,26,27)(H4,23,24,28) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human alpha-thrombin |
J Med Chem 53: 1843-56 (2010)
Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50312654
(1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...)Show SMILES [#6]-c1cnc(-[#7]-[#6]-[#6]-c2ccc(F)cc2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C18H24FN7O3/c1-12-10-24-16(23-7-6-13-2-4-14(19)5-3-13)17(28)26(12)11-15(27)22-8-9-29-25-18(20)21/h2-5,10H,6-9,11H2,1H3,(H,22,27)(H,23,24)(H4,20,21,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human alpha-thrombin |
J Med Chem 53: 1843-56 (2010)
Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50312656
(1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...)Show SMILES [#6]-c1cnc(-[#7]-[#6]-[#6]-c2ccc(F)cc2F)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C18H23F2N7O3/c1-11-9-25-16(24-5-4-12-2-3-13(19)8-14(12)20)17(29)27(11)10-15(28)23-6-7-30-26-18(21)22/h2-3,8-9H,4-7,10H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human alpha-thrombin |
J Med Chem 53: 1843-56 (2010)
Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9 |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50231272
(1-(3-amino-1,2-benzisoxazol-5-yl)-6-(4-{2-[(dimeth...)Show SMILES CN(C)Cc1nccn1-c1ccc(c(F)c1)-c1ccc2c(nn(-c3ccc4onc(N)c4c3)c2c1F)C(N)=O Show InChI InChI=1S/C27H22F2N8O2/c1-35(2)13-22-32-9-10-36(22)14-3-5-16(20(28)12-14)17-6-7-18-24(27(31)38)33-37(25(18)23(17)29)15-4-8-21-19(11-15)26(30)34-39-21/h3-12H,13H2,1-2H3,(H2,30,34)(H2,31,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 15.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
J Med Chem 51: 282-97 (2008)
Article DOI: 10.1021/jm701217r BindingDB Entry DOI: 10.7270/Q2K64HTF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prothrombin
(Homo sapiens (Human)) | BDBM50148987
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |
Prothrombin
(Homo sapiens (Human)) | BDBM50149002
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50231269
(1-{4-[1-(3-aminobenzo[d]isoxazol-5-yl)-7-fluoro-3-...)Show SMILES Nc1noc2ccc(cc12)-n1nc(c2ccc(c(F)c12)-c1ccc(cc1F)N1CCCCC1=O)C(F)(F)F Show InChI InChI=1S/C26H18F5N5O2/c27-19-12-13(35-10-2-1-3-21(35)37)4-6-15(19)16-7-8-17-23(22(16)28)36(33-24(17)26(29,30)31)14-5-9-20-18(11-14)25(32)34-38-20/h4-9,11-12H,1-3,10H2,(H2,32,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 22.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
J Med Chem 51: 282-97 (2008)
Article DOI: 10.1021/jm701217r BindingDB Entry DOI: 10.7270/Q2K64HTF |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50149010
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50231274
(1-{4-[1-(3-aminobenzo[d]isoxazol-5-yl)-7-fluoro-3-...)Show SMILES Cc1nn(-c2ccc3onc(N)c3c2)c2c(F)c(ccc12)-c1ccc(cc1F)N1CCCCC1=O Show InChI InChI=1S/C26H21F2N5O2/c1-14-17-8-9-19(18-7-5-15(13-21(18)27)32-11-3-2-4-23(32)34)24(28)25(17)33(30-14)16-6-10-22-20(12-16)26(29)31-35-22/h5-10,12-13H,2-4,11H2,1H3,(H2,29,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human factor 10a |
J Med Chem 51: 282-97 (2008)
Article DOI: 10.1021/jm701217r BindingDB Entry DOI: 10.7270/Q2K64HTF |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50149029
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50149012
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50149009
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50312664
(1-{N-[2-(Amidino-N0-methylaminooxy)ethyl]amino}car...)Show SMILES [#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-n1c(-[#6])cnc(-[#7]-[#6]-[#6]-c2ccc(-[#6])cc2)c1=O Show InChI InChI=1S/C20H29N7O3/c1-14-4-6-16(7-5-14)8-9-23-18-19(29)27(15(2)12-24-18)13-17(28)26(3)10-11-30-25-20(21)22/h4-7,12H,8-11,13H2,1-3H3,(H,23,24)(H4,21,22,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human alpha-thrombin |
J Med Chem 53: 1843-56 (2010)
Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50148991
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50312661
(1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...)Show SMILES [#6]-c1cnc(-[#7]-[#6]-[#6]-c2ccc3-[#6]-[#6]-[#6]-c3c2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C21H29N7O3/c1-14-12-26-19(25-8-7-15-5-6-16-3-2-4-17(16)11-15)20(30)28(14)13-18(29)24-9-10-31-27-21(22)23/h5-6,11-12H,2-4,7-10,13H2,1H3,(H,24,29)(H,25,26)(H4,22,23,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human alpha-thrombin |
J Med Chem 53: 1843-56 (2010)
Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9 |
More data for this Ligand-Target Pair | |