Found 4 hits in this display 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 IX
(Homo sapiens (Human)) | BDBM241535
(US9409908, 167 | US9951071, Example 167)Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2Br)c2cccc(c2)-c2cc(ccc2NC1=O)C(O)=O |r,c:9| Show InChI InChI=1S/C31H27BrClFN2O4/c1-17-4-2-7-26(36-13-12-20(16-27(36)37)28-23(32)9-10-24(33)29(28)34)19-6-3-5-18(14-19)22-15-21(31(39)40)8-11-25(22)35-30(17)38/h3,5-6,8-11,14-17,26H,2,4,7,12-13H2,1H3,(H,35,38)(H,39,40)/t17-,26+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Bristol-Myers Squibb Company
US Patent
| Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake... |
US Patent US9409908 (2016)
BindingDB Entry DOI: 10.7270/Q27943K8 |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM241535
(US9409908, 167 | US9951071, Example 167)Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2Br)c2cccc(c2)-c2cc(ccc2NC1=O)C(O)=O |r,c:9| Show InChI InChI=1S/C31H27BrClFN2O4/c1-17-4-2-7-26(36-13-12-20(16-27(36)37)28-23(32)9-10-24(33)29(28)34)19-6-3-5-18(14-19)22-15-21(31(39)40)8-11-25(22)35-30(17)38/h3,5-6,8-11,14-17,26H,2,4,7,12-13H2,1H3,(H,35,38)(H,39,40)/t17-,26+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
| Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake... |
J Med Chem 51: 487-501 (2008)
BindingDB Entry DOI: 10.7270/Q2R78HKQ |
More data for this Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM241535
(US9409908, 167 | US9951071, Example 167)Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2Br)c2cccc(c2)-c2cc(ccc2NC1=O)C(O)=O |r,c:9| Show InChI InChI=1S/C31H27BrClFN2O4/c1-17-4-2-7-26(36-13-12-20(16-27(36)37)28-23(32)9-10-24(33)29(28)34)19-6-3-5-18(14-19)22-15-21(31(39)40)8-11-25(22)35-30(17)38/h3,5-6,8-11,14-17,26H,2,4,7,12-13H2,1H3,(H,35,38)(H,39,40)/t17-,26+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 20.1 | -45.7 | n/a | n/a | n/a | n/a | n/a | n/a | 37 |
Bristol-Myers Squibb Company
US Patent
| Assay Description Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De... |
US Patent US9409908 (2016)
BindingDB Entry DOI: 10.7270/Q27943K8 |
More data for this Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM241535
(US9409908, 167 | US9951071, Example 167)Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2Br)c2cccc(c2)-c2cc(ccc2NC1=O)C(O)=O |r,c:9| Show InChI InChI=1S/C31H27BrClFN2O4/c1-17-4-2-7-26(36-13-12-20(16-27(36)37)28-23(32)9-10-24(33)29(28)34)19-6-3-5-18(14-19)22-15-21(31(39)40)8-11-25(22)35-30(17)38/h3,5-6,8-11,14-17,26H,2,4,7,12-13H2,1H3,(H,35,38)(H,39,40)/t17-,26+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 20.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
| Assay Description Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De... |
J Med Chem 51: 487-501 (2008)
BindingDB Entry DOI: 10.7270/Q2R78HKQ |
More data for this Ligand-Target Pair | |