Found 48 hits of Enzyme Inhibition Constant Data 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 |
|---|
Coagulation factor X
(Homo sapiens (Human)) | BDBM12751
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Coagulation factor Xa (serine protease) was determined |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113598
((Z)-3-(3-Carbamimidoyl-4-fluoro-phenyl)-2-fluoro-b...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1Cl)-c1ccccc1S(N)(=O)=O)c1ccc(F)c(c1)C(N)=N Show InChI InChI=1S/C23H19ClF2N4O3S/c1-12(13-6-8-18(25)16(10-13)22(27)28)21(26)23(31)30-19-9-7-14(11-17(19)24)15-4-2-3-5-20(15)34(29,32)33/h2-11H,1H3,(H3,27,28)(H,30,31)(H2,29,32,33)/b21-12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against factor Xa,activity expressed as Ki nM |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113591
((E)-3-(3-Carbamimidoyl-phenyl)-2-fluoro-but-2-enoi...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C23H20F2N4O3S/c1-13(14-5-4-6-16(11-14)22(26)27)21(25)23(30)29-19-10-9-15(12-18(19)24)17-7-2-3-8-20(17)33(28,31)32/h2-12H,1H3,(H3,26,27)(H,29,30)(H2,28,31,32)/b21-13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113586
((E)-3-(3-Carbamimidoyl-phenyl)-2-fluoro-but-2-enoi...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1Cl)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C23H20ClFN4O3S/c1-13(14-5-4-6-16(11-14)22(26)27)21(25)23(30)29-19-10-9-15(12-18(19)24)17-7-2-3-8-20(17)33(28,31)32/h2-12H,1H3,(H3,26,27)(H,29,30)(H2,28,31,32)/b21-13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113590
((E)-3-(3-Carbamimidoyl-phenyl)-2-fluoro-but-2-enoi...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1Br)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C23H20BrFN4O3S/c1-13(14-5-4-6-16(11-14)22(26)27)21(25)23(30)29-19-10-9-15(12-18(19)24)17-7-2-3-8-20(17)33(28,31)32/h2-12H,1H3,(H3,26,27)(H,29,30)(H2,28,31,32)/b21-13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113598
((Z)-3-(3-Carbamimidoyl-4-fluoro-phenyl)-2-fluoro-b...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1Cl)-c1ccccc1S(N)(=O)=O)c1ccc(F)c(c1)C(N)=N Show InChI InChI=1S/C23H19ClF2N4O3S/c1-12(13-6-8-18(25)16(10-13)22(27)28)21(26)23(31)30-19-9-7-14(11-17(19)24)15-4-2-3-5-20(15)34(29,32)33/h2-11H,1H3,(H3,27,28)(H,30,31)(H2,29,32,33)/b21-12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113593
((Z)-3-(3-Carbamimidoyl-4-fluoro-phenyl)-2-fluoro-b...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1Br)-c1ccccc1S(N)(=O)=O)c1ccc(F)c(c1)C(N)=N Show InChI InChI=1S/C23H19BrF2N4O3S/c1-12(13-6-8-18(25)16(10-13)22(27)28)21(26)23(31)30-19-9-7-14(11-17(19)24)15-4-2-3-5-20(15)34(29,32)33/h2-11H,1H3,(H3,27,28)(H,30,31)(H2,29,32,33)/b21-12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113584
((E)-3-(3-Carbamimidoyl-phenyl)-2-fluoro-but-2-enoi...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C23H21FN4O3S/c1-14(16-5-4-6-17(13-16)22(25)26)21(24)23(29)28-18-11-9-15(10-12-18)19-7-2-3-8-20(19)32(27,30)31/h2-13H,1H3,(H3,25,26)(H,28,29)(H2,27,30,31)/b21-14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113612
((Z)-3-(3-Carbamimidoyl-4-fluoro-phenyl)-2-fluoro-b...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)c1ccc(F)c(c1)C(N)=N Show InChI InChI=1S/C23H19F3N4O3S/c1-12(13-6-8-17(24)16(10-13)22(27)28)21(26)23(31)30-19-9-7-14(11-18(19)25)15-4-2-3-5-20(15)34(29,32)33/h2-11H,1H3,(H3,27,28)(H,30,31)(H2,29,32,33)/b21-12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113611
((Z)-3-(2-Amino-5-carbamimidoyl-phenyl)-2-fluoro-bu...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)c1cc(ccc1N)C(N)=N Show InChI InChI=1S/C23H21F2N5O3S/c1-12(16-10-14(22(27)28)6-8-18(16)26)21(25)23(31)30-19-9-7-13(11-17(19)24)15-4-2-3-5-20(15)34(29,32)33/h2-11H,26H2,1H3,(H3,27,28)(H,30,31)(H2,29,32,33)/b21-12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113603
((E)-3-(3-Carbamimidoyl-phenyl)-2,4,4,4-tetrafluoro...)Show SMILES NC(=N)c1cccc(c1)C(=C(\F)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)\C(F)(F)F Show InChI InChI=1S/C23H18F4N4O3S/c24-20(19(23(25,26)27)14-4-3-5-15(12-14)21(28)29)22(32)31-16-10-8-13(9-11-16)17-6-1-2-7-18(17)35(30,33)34/h1-12H,(H3,28,29)(H,31,32)(H2,30,33,34)/b20-19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113585
((Z)-3-(3-Carbamimidoyl-4-fluoro-phenyl)-2-fluoro-b...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1ccc(F)c(c1)C(N)=N Show InChI InChI=1S/C23H20F2N4O3S/c1-13(15-8-11-19(24)18(12-15)22(26)27)21(25)23(30)29-16-9-6-14(7-10-16)17-4-2-3-5-20(17)33(28,31)32/h2-12H,1H3,(H3,26,27)(H,29,30)(H2,28,31,32)/b21-13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113619
((E)-3-(3-Carbamimidoyl-phenyl)-2-fluoro-4-hydroxy-...)Show SMILES NC(=N)c1cccc(c1)C(\CO)=C(\F)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C23H21FN4O4S/c24-21(19(13-29)15-4-3-5-16(12-15)22(25)26)23(30)28-17-10-8-14(9-11-17)18-6-1-2-7-20(18)33(27,31)32/h1-12,29H,13H2,(H3,25,26)(H,28,30)(H2,27,31,32)/b21-19+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113605
((E)-3-(3-Carbamimidoyl-phenyl)-but-2-enoic acid (2...)Show SMILES C\C(=C\C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C23H22N4O3S/c1-15(17-5-4-6-18(14-17)23(24)25)13-22(28)27-19-11-9-16(10-12-19)20-7-2-3-8-21(20)31(26,29)30/h2-14H,1H3,(H3,24,25)(H,27,28)(H2,26,29,30)/b15-13- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113613
((E)-3-(3-Carbamimidoyl-phenyl)-5-methyl-hex-2-enoi...)Show SMILES CC(C)C\C(=C\C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C26H28N4O3S/c1-17(2)14-21(19-6-5-7-20(15-19)26(27)28)16-25(31)30-22-12-10-18(11-13-22)23-8-3-4-9-24(23)34(29,32)33/h3-13,15-17H,14H2,1-2H3,(H3,27,28)(H,30,31)(H2,29,32,33)/b21-16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113594
((E)-3-(3-Carbamimidoyl-phenyl)-pent-2-enoic acid (...)Show SMILES CC\C(=C\C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H24N4O3S/c1-2-16(18-6-5-7-19(14-18)24(25)26)15-23(29)28-20-12-10-17(11-13-20)21-8-3-4-9-22(21)32(27,30)31/h3-15H,2H2,1H3,(H3,25,26)(H,28,29)(H2,27,30,31)/b16-15- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113599
((Z)-3-(3-Carbamimidoyl-phenyl)-4-methoxy-but-2-eno...)Show SMILES COC\C(=C\C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H24N4O4S/c1-32-15-19(17-5-4-6-18(13-17)24(25)26)14-23(29)28-20-11-9-16(10-12-20)21-7-2-3-8-22(21)33(27,30)31/h2-14H,15H2,1H3,(H3,25,26)(H,28,29)(H2,27,30,31)/b19-14- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113604
((E)-3-[5-Carbamimidoyl-2-(2-methoxy-ethoxy)-phenyl...)Show SMILES COCCOc1ccc(cc1\C=C/C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(N)=N Show InChI InChI=1S/C25H26N4O5S/c1-33-14-15-34-22-12-8-19(25(26)27)16-18(22)9-13-24(30)29-20-10-6-17(7-11-20)21-4-2-3-5-23(21)35(28,31)32/h2-13,16H,14-15H2,1H3,(H3,26,27)(H,29,30)(H2,28,31,32)/b13-9- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113618
((Z)-3-(3-Carbamimidoyl-phenyl)-4,4,4-trifluoro-but...)Show SMILES NC(=N)c1cccc(c1)C(=C/C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)\C(F)(F)F Show InChI InChI=1S/C23H19F3N4O3S/c24-23(25,26)19(15-4-3-5-16(12-15)22(27)28)13-21(31)30-17-10-8-14(9-11-17)18-6-1-2-7-20(18)34(29,32)33/h1-13H,(H3,27,28)(H,30,31)(H2,29,32,33)/b19-13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113607
((E)-3-(3-Carbamimidoyl-phenyl)-2-fluoro-4-methanes...)Show SMILES CS(=O)(=O)C\C(=C(/F)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H23FN4O5S2/c1-35(31,32)14-20(16-5-4-6-17(13-16)23(26)27)22(25)24(30)29-18-11-9-15(10-12-18)19-7-2-3-8-21(19)36(28,33)34/h2-13H,14H2,1H3,(H3,26,27)(H,29,30)(H2,28,33,34)/b22-20+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113600
((E)-3-(3-Carbamimidoyl-phenyl)-4-ethylsulfanyl-2-f...)Show SMILES CCSC\C(=C(/F)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H25FN4O3S2/c1-2-34-15-21(17-6-5-7-18(14-17)24(27)28)23(26)25(31)30-19-12-10-16(11-13-19)20-8-3-4-9-22(20)35(29,32)33/h3-14H,2,15H2,1H3,(H3,27,28)(H,30,31)(H2,29,32,33)/b23-21+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113608
((Z)-3-(5-Carbamimidoyl-2-nitro-phenyl)-2-fluoro-bu...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)c1cc(ccc1[N+]([O-])=O)C(N)=N Show InChI InChI=1S/C23H19F2N5O5S/c1-12(16-10-14(22(26)27)7-9-19(16)30(32)33)21(25)23(31)29-18-8-6-13(11-17(18)24)15-4-2-3-5-20(15)36(28,34)35/h2-11H,1H3,(H3,26,27)(H,29,31)(H2,28,34,35)/b21-12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113602
((E)-3-(3-Carbamimidoyl-phenyl)-N-(2'-sulfamoyl-bip...)Show SMILES NC(=N)c1cccc(\C=C/C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1 Show InChI InChI=1S/C22H20N4O3S/c23-22(24)17-5-3-4-15(14-17)8-13-21(27)26-18-11-9-16(10-12-18)19-6-1-2-7-20(19)30(25,28)29/h1-14H,(H3,23,24)(H,26,27)(H2,25,28,29)/b13-8- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113596
((E)-3-(5-Carbamimidoyl-2-fluoro-phenyl)-N-(2'-sulf...)Show SMILES NC(=N)c1ccc(F)c(\C=C/C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1 Show InChI InChI=1S/C22H19FN4O3S/c23-19-11-7-16(22(24)25)13-15(19)8-12-21(28)27-17-9-5-14(6-10-17)18-3-1-2-4-20(18)31(26,29)30/h1-13H,(H3,24,25)(H,27,28)(H2,26,29,30)/b12-8- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113588
((E)-3-(3-Carbamimidoyl-phenyl)-4-methyl-pent-2-eno...)Show SMILES CC(C)C(=C\C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)\c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H26N4O3S/c1-16(2)22(18-6-5-7-19(14-18)25(26)27)15-24(30)29-20-12-10-17(11-13-20)21-8-3-4-9-23(21)33(28,31)32/h3-16H,1-2H3,(H3,26,27)(H,29,30)(H2,28,31,32)/b22-15- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113589
((E)-3-(3-Carbamimidoyl-phenyl)-4-(2H-pyrazol-3-yl)...)Show SMILES NC(=N)c1cccc(c1)C(Cc1ccn[nH]1)=CC(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |w:16.18| Show InChI InChI=1S/C26H24N6O3S/c27-26(28)19-5-3-4-18(14-19)20(15-22-12-13-30-32-22)16-25(33)31-21-10-8-17(9-11-21)23-6-1-2-7-24(23)36(29,34)35/h1-14,16H,15H2,(H3,27,28)(H,30,32)(H,31,33)(H2,29,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113614
((Z)-3-(3-Carbamimidoyl-phenyl)-4-tetrazol-1-yl-but...)Show SMILES NC(=N)c1cccc(c1)C(\Cn1cnnn1)=C/C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C24H22N8O3S/c25-24(26)18-5-3-4-17(12-18)19(14-32-15-28-30-31-32)13-23(33)29-20-10-8-16(9-11-20)21-6-1-2-7-22(21)36(27,34)35/h1-13,15H,14H2,(H3,25,26)(H,29,33)(H2,27,34,35)/b19-13- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113595
(2-[1-(3-Carbamimidoyl-phenyl)-eth-(E)-ylidene]-N*1...)Show SMILES C\C(=C(/CC(N)=O)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H25N5O4S/c1-15(17-5-4-6-18(13-17)24(27)28)21(14-23(26)31)25(32)30-19-11-9-16(10-12-19)20-7-2-3-8-22(20)35(29,33)34/h2-13H,14H2,1H3,(H2,26,31)(H3,27,28)(H,30,32)(H2,29,33,34)/b21-15- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113616
((E)-3-(3-Carbamimidoyl-4-fluoro-phenyl)-N-(2'-sulf...)Show SMILES NC(=N)c1cc(\C=C/C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)ccc1F Show InChI InChI=1S/C22H19FN4O3S/c23-19-11-5-14(13-18(19)22(24)25)6-12-21(28)27-16-9-7-15(8-10-16)17-3-1-2-4-20(17)31(26,29)30/h1-13H,(H3,24,25)(H,27,28)(H2,26,29,30)/b12-6- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113620
((E)-3-(3-Carbamimidoyl-phenyl)-3-furan-2-yl-N-(2'-...)Show SMILES NC(=N)c1cccc(c1)C(=C/C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)\c1ccco1 Show InChI InChI=1S/C26H22N4O4S/c27-26(28)19-6-3-5-18(15-19)22(23-8-4-14-34-23)16-25(31)30-20-12-10-17(11-13-20)21-7-1-2-9-24(21)35(29,32)33/h1-16H,(H3,27,28)(H,30,31)(H2,29,32,33)/b22-16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 184 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50113586
((E)-3-(3-Carbamimidoyl-phenyl)-2-fluoro-but-2-enoi...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1Cl)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C23H20ClFN4O3S/c1-13(14-5-4-6-16(11-14)22(26)27)21(25)23(30)29-19-10-9-15(12-18(19)24)17-7-2-3-8-20(17)33(28,31)32/h2-12H,1H3,(H3,26,27)(H,29,30)(H2,28,31,32)/b21-13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 188 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against trypsin was determined |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50113590
((E)-3-(3-Carbamimidoyl-phenyl)-2-fluoro-but-2-enoi...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1Br)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C23H20BrFN4O3S/c1-13(14-5-4-6-16(11-14)22(26)27)21(25)23(30)29-19-10-9-15(12-18(19)24)17-7-2-3-8-20(17)33(28,31)32/h2-12H,1H3,(H3,26,27)(H,29,30)(H2,28,31,32)/b21-13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 189 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against trypsin was determined |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113592
((E)-3-(3-Carbamimidoyl-phenyl)-4-dimethylamino-2-f...)Show SMILES CN(C)C\C(=C(/F)C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H25F2N5O3S/c1-32(2)14-19(15-6-5-7-17(12-15)24(28)29)23(27)25(33)31-21-11-10-16(13-20(21)26)18-8-3-4-9-22(18)36(30,34)35/h3-13H,14H2,1-2H3,(H3,28,29)(H,31,33)(H2,30,34,35)/b23-19+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 191 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50113591
((E)-3-(3-Carbamimidoyl-phenyl)-2-fluoro-but-2-enoi...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C23H20F2N4O3S/c1-13(14-5-4-6-16(11-14)22(26)27)21(25)23(30)29-19-10-9-15(12-18(19)24)17-7-2-3-8-20(17)33(28,31)32/h2-12H,1H3,(H3,26,27)(H,29,30)(H2,28,31,32)/b21-13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 194 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against trypsin was determined |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113615
((E)-3-(5-Carbamimidoyl-2-methoxy-phenyl)-N-(2'-sul...)Show SMILES COc1ccc(cc1\C=C/C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(N)=N Show InChI InChI=1S/C23H22N4O4S/c1-31-20-12-8-17(23(24)25)14-16(20)9-13-22(28)27-18-10-6-15(7-11-18)19-4-2-3-5-21(19)32(26,29)30/h2-14H,1H3,(H3,24,25)(H,27,28)(H2,26,29,30)/b13-9- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 215 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113610
((E)-4-(3-Carbamimidoyl-phenyl)-3-(2'-sulfamoyl-bip...)Show SMILES C\C(=C(/CC(O)=O)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H24N4O5S/c1-15(17-5-4-6-18(13-17)24(26)27)21(14-23(30)31)25(32)29-19-11-9-16(10-12-19)20-7-2-3-8-22(20)35(28,33)34/h2-13H,14H2,1H3,(H3,26,27)(H,29,32)(H,30,31)(H2,28,33,34)/b21-15- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 234 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113601
((Z)-3-(3-Carbamimidoyl-phenyl)-4-tetrazol-2-yl-but...)Show SMILES NC(=N)c1cccc(c1)C(\Cn1ncnn1)=C/C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C24H22N8O3S/c25-24(26)18-5-3-4-17(12-18)19(14-32-29-15-28-31-32)13-23(33)30-20-10-8-16(9-11-20)21-6-1-2-7-22(21)36(27,34)35/h1-13,15H,14H2,(H3,25,26)(H,30,33)(H2,27,34,35)/b19-13- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50113584
((E)-3-(3-Carbamimidoyl-phenyl)-2-fluoro-but-2-enoi...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C23H21FN4O3S/c1-14(16-5-4-6-17(13-16)22(25)26)21(24)23(29)28-18-11-9-15(10-12-18)19-7-2-3-8-20(19)32(27,30)31/h2-13H,1H3,(H3,25,26)(H,28,29)(H2,27,30,31)/b21-14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 259 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against trypsin was determined |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113597
((E)-3-(3-Carbamimidoyl-phenyl)-2-methyl-N-(2'-sulf...)Show SMILES C\C(=C\c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C23H22N4O3S/c1-15(13-16-5-4-6-18(14-16)22(24)25)23(28)27-19-11-9-17(10-12-19)20-7-2-3-8-21(20)31(26,29)30/h2-14H,1H3,(H3,24,25)(H,27,28)(H2,26,29,30)/b15-13- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 362 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50113590
((E)-3-(3-Carbamimidoyl-phenyl)-2-fluoro-but-2-enoi...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1Br)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C23H20BrFN4O3S/c1-13(14-5-4-6-16(11-14)22(26)27)21(25)23(30)29-19-10-9-15(12-18(19)24)17-7-2-3-8-20(17)33(28,31)32/h2-12H,1H3,(H3,26,27)(H,29,30)(H2,28,31,32)/b21-13+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 503 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Factor IIa (serine protease) was determined |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113606
((E)-3-(3-Carbamimidoyl-phenyl)-2-pyridin-4-yl-N-(2...)Show SMILES NC(=N)c1cccc(\C=C(/C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c2ccncc2)c1 Show InChI InChI=1S/C27H23N5O3S/c28-26(29)21-5-3-4-18(16-21)17-24(20-12-14-31-15-13-20)27(33)32-22-10-8-19(9-11-22)23-6-1-2-7-25(23)36(30,34)35/h1-17H,(H3,28,29)(H,32,33)(H2,30,34,35)/b24-17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 628 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50113586
((E)-3-(3-Carbamimidoyl-phenyl)-2-fluoro-but-2-enoi...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1Cl)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C23H20ClFN4O3S/c1-13(14-5-4-6-16(11-14)22(26)27)21(25)23(30)29-19-10-9-15(12-18(19)24)17-7-2-3-8-20(17)33(28,31)32/h2-12H,1H3,(H3,26,27)(H,29,30)(H2,28,31,32)/b21-13+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Factor IIa (serine protease) was determined |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113609
((E)-3-(3-Carbamimidoyl-phenyl)-2-pyridin-2-yl-N-(2...)Show SMILES NC(=N)c1cccc(\C=C(/C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c2ccccn2)c1 Show InChI InChI=1S/C27H23N5O3S/c28-26(29)20-7-5-6-18(16-20)17-23(24-9-3-4-15-31-24)27(33)32-21-13-11-19(12-14-21)22-8-1-2-10-25(22)36(30,34)35/h1-17H,(H3,28,29)(H,32,33)(H2,30,34,35)/b23-17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 664 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113587
((Z)-3-(3-Carbamimidoyl-phenyl)-2-(2'-sulfamoyl-bip...)Show SMILES COC(=O)C(=C\c1cccc(c1)C(N)=N)\C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C24H22N4O5S/c1-33-24(30)20(14-15-5-4-6-17(13-15)22(25)26)23(29)28-18-11-9-16(10-12-18)19-7-2-3-8-21(19)34(27,31)32/h2-14H,1H3,(H3,25,26)(H,28,29)(H2,27,31,32)/b20-14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 759 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against factor Xa was determined |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50113591
((E)-3-(3-Carbamimidoyl-phenyl)-2-fluoro-but-2-enoi...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C23H20F2N4O3S/c1-13(14-5-4-6-16(11-14)22(26)27)21(25)23(30)29-19-10-9-15(12-18(19)24)17-7-2-3-8-20(17)33(28,31)32/h2-12H,1H3,(H3,26,27)(H,29,30)(H2,28,31,32)/b21-13+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Factor IIa (serine protease) was determined |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113621
((Z)-3-(3-Carbamimidoyl-phenyl)-N-(2'-sulfamoyl-bip...)Show SMILES NC(=N)c1cccc(\C=C\C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1 Show InChI InChI=1S/C22H20N4O3S/c23-22(24)17-5-3-4-15(14-17)8-13-21(27)26-18-11-9-16(10-12-18)19-6-1-2-7-20(19)30(25,28)29/h1-14H,(H3,23,24)(H,26,27)(H2,25,28,29)/b13-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Coagulation factor Xa (serine protease) was determined |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50113584
((E)-3-(3-Carbamimidoyl-phenyl)-2-fluoro-but-2-enoi...)Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C23H21FN4O3S/c1-14(16-5-4-6-17(13-16)22(25)26)21(24)23(29)28-18-11-9-15(10-12-18)19-7-2-3-8-20(19)32(27,30)31/h2-13H,1H3,(H3,25,26)(H,28,29)(H2,27,30,31)/b21-14+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Factor IIa (serine protease) was determined |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50113617
((E)-3-(3-Carbamimidoyl-4-methoxy-phenyl)-N-(2'-sul...)Show SMILES COc1ccc(\C=C/C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)cc1C(N)=N Show InChI InChI=1S/C23H22N4O4S/c1-31-20-12-6-15(14-19(20)23(24)25)7-13-22(28)27-17-10-8-16(9-11-17)18-4-2-3-5-21(18)32(26,29)30/h2-14H,1H3,(H3,24,25)(H,27,28)(H2,26,29,30)/b13-7- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against factor Xa |
Bioorg Med Chem Lett 12: 1511-5 (2002)
BindingDB Entry DOI: 10.7270/Q2P84B6X |
More data for this
Ligand-Target Pair | |
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