Found 4 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM238256' 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 XI
(Homo sapiens (Human)) | BDBM238256
(US10336741, Example 55 | US10882855, Example 55 | ...)Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H](C[C@H]1C(=O)Nc1ccc(cc1)C(O)=O)N1CCN(CC1)S(=O)(=O)C1CC1 |r,wU:2.1,12.29,14.16,wD:5.8,(-7.93,-8.37,;-7.93,-6.83,;-6.6,-6.06,;-6.6,-4.52,;-5.26,-3.75,;-3.93,-4.52,;-3.93,-6.06,;-5.26,-6.83,;-2.6,-3.75,;-1.26,-4.52,;-2.6,-2.21,;-3.84,-1.3,;-3.37,.16,;-1.83,.16,;-1.35,-1.3,;-.02,-2.07,;-.02,-3.61,;1.32,-1.3,;2.65,-2.07,;3.98,-1.3,;5.32,-2.07,;5.37,-3.64,;3.98,-4.38,;2.65,-3.61,;6.7,-4.41,;6.7,-5.95,;8.03,-3.64,;-4.14,1.49,;-3.37,2.83,;-4.14,4.16,;-5.68,4.16,;-6.45,2.83,;-5.68,1.49,;-6.45,5.5,;-7.99,5.5,;-4.91,5.5,;-5.68,6.83,;-4.34,7.6,;-5.68,8.37,)| Show InChI InChI=1S/C27H39N5O6S/c28-16-18-1-3-19(4-2-18)26(34)32-17-22(30-11-13-31(14-12-30)39(37,38)23-9-10-23)15-24(32)25(33)29-21-7-5-20(6-8-21)27(35)36/h5-8,18-19,22-24H,1-4,9-17,28H2,(H,29,33)(H,35,36)/t18-,19-,22-,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
ONO PHARMACEUTICAL CO., LTD.
US Patent
| Assay Description Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6... |
US Patent US9394250 (2016)
BindingDB Entry DOI: 10.7270/Q2222SP5 |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM238256
(US10336741, Example 55 | US10882855, Example 55 | ...)Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H](C[C@H]1C(=O)Nc1ccc(cc1)C(O)=O)N1CCN(CC1)S(=O)(=O)C1CC1 |r,wU:2.1,12.29,14.16,wD:5.8,(-7.93,-8.37,;-7.93,-6.83,;-6.6,-6.06,;-6.6,-4.52,;-5.26,-3.75,;-3.93,-4.52,;-3.93,-6.06,;-5.26,-6.83,;-2.6,-3.75,;-1.26,-4.52,;-2.6,-2.21,;-3.84,-1.3,;-3.37,.16,;-1.83,.16,;-1.35,-1.3,;-.02,-2.07,;-.02,-3.61,;1.32,-1.3,;2.65,-2.07,;3.98,-1.3,;5.32,-2.07,;5.37,-3.64,;3.98,-4.38,;2.65,-3.61,;6.7,-4.41,;6.7,-5.95,;8.03,-3.64,;-4.14,1.49,;-3.37,2.83,;-4.14,4.16,;-5.68,4.16,;-6.45,2.83,;-5.68,1.49,;-6.45,5.5,;-7.99,5.5,;-4.91,5.5,;-5.68,6.83,;-4.34,7.6,;-5.68,8.37,)| Show InChI InChI=1S/C27H39N5O6S/c28-16-18-1-3-19(4-2-18)26(34)32-17-22(30-11-13-31(14-12-30)39(37,38)23-9-10-23)15-24(32)25(33)29-21-7-5-20(6-8-21)27(35)36/h5-8,18-19,22-24H,1-4,9-17,28H2,(H,29,33)(H,35,36)/t18-,19-,22-,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
ONO PHARMACEUTICAL CO., LTD.
US Patent
| Assay Description Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6... |
US Patent US10882855 (2021)
BindingDB Entry DOI: 10.7270/Q2XG9V7Q |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM238256
(US10336741, Example 55 | US10882855, Example 55 | ...)Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H](C[C@H]1C(=O)Nc1ccc(cc1)C(O)=O)N1CCN(CC1)S(=O)(=O)C1CC1 |r,wU:2.1,12.29,14.16,wD:5.8,(-7.93,-8.37,;-7.93,-6.83,;-6.6,-6.06,;-6.6,-4.52,;-5.26,-3.75,;-3.93,-4.52,;-3.93,-6.06,;-5.26,-6.83,;-2.6,-3.75,;-1.26,-4.52,;-2.6,-2.21,;-3.84,-1.3,;-3.37,.16,;-1.83,.16,;-1.35,-1.3,;-.02,-2.07,;-.02,-3.61,;1.32,-1.3,;2.65,-2.07,;3.98,-1.3,;5.32,-2.07,;5.37,-3.64,;3.98,-4.38,;2.65,-3.61,;6.7,-4.41,;6.7,-5.95,;8.03,-3.64,;-4.14,1.49,;-3.37,2.83,;-4.14,4.16,;-5.68,4.16,;-6.45,2.83,;-5.68,1.49,;-6.45,5.5,;-7.99,5.5,;-4.91,5.5,;-5.68,6.83,;-4.34,7.6,;-5.68,8.37,)| Show InChI InChI=1S/C27H39N5O6S/c28-16-18-1-3-19(4-2-18)26(34)32-17-22(30-11-13-31(14-12-30)39(37,38)23-9-10-23)15-24(32)25(33)29-21-7-5-20(6-8-21)27(35)36/h5-8,18-19,22-24H,1-4,9-17,28H2,(H,29,33)(H,35,36)/t18-,19-,22-,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
US Patent
| Assay Description Inhibitory activities of compounds of the present invention against factor XIa, Xa, XIIa, IXa, VIIa, plasma kallikrein or thrombin were evaluated usi... |
US Patent US10336741 (2019)
BindingDB Entry DOI: 10.7270/Q2CR5WQP |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM238256
(US10336741, Example 55 | US10882855, Example 55 | ...)Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H](C[C@H]1C(=O)Nc1ccc(cc1)C(O)=O)N1CCN(CC1)S(=O)(=O)C1CC1 |r,wU:2.1,12.29,14.16,wD:5.8,(-7.93,-8.37,;-7.93,-6.83,;-6.6,-6.06,;-6.6,-4.52,;-5.26,-3.75,;-3.93,-4.52,;-3.93,-6.06,;-5.26,-6.83,;-2.6,-3.75,;-1.26,-4.52,;-2.6,-2.21,;-3.84,-1.3,;-3.37,.16,;-1.83,.16,;-1.35,-1.3,;-.02,-2.07,;-.02,-3.61,;1.32,-1.3,;2.65,-2.07,;3.98,-1.3,;5.32,-2.07,;5.37,-3.64,;3.98,-4.38,;2.65,-3.61,;6.7,-4.41,;6.7,-5.95,;8.03,-3.64,;-4.14,1.49,;-3.37,2.83,;-4.14,4.16,;-5.68,4.16,;-6.45,2.83,;-5.68,1.49,;-6.45,5.5,;-7.99,5.5,;-4.91,5.5,;-5.68,6.83,;-4.34,7.6,;-5.68,8.37,)| Show InChI InChI=1S/C27H39N5O6S/c28-16-18-1-3-19(4-2-18)26(34)32-17-22(30-11-13-31(14-12-30)39(37,38)23-9-10-23)15-24(32)25(33)29-21-7-5-20(6-8-21)27(35)36/h5-8,18-19,22-24H,1-4,9-17,28H2,(H,29,33)(H,35,36)/t18-,19-,22-,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
ONO PHARMACEUTICAL CO., LTD.
US Patent
| Assay Description Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6... |
US Patent US9585881 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q0R |
More data for this Ligand-Target Pair | |