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)) | BDBM241585
(US9409908, 217)Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2c(NC1=O)cccc2C#N |r,c:9| Show InChI InChI=1S/C30H25ClF2N4O2/c1-17-4-2-7-25(37-13-11-19(15-26(37)38)28-22(32)9-8-21(31)29(28)33)24-14-18(10-12-35-24)27-20(16-34)5-3-6-23(27)36-30(17)39/h3,5-6,8-10,12,14-15,17,25H,2,4,7,11,13H2,1H3,(H,36,39)/t17-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 98.6 | 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)) | BDBM390199
((10R,14S)-14-[4-(3-chloro-2,6-difluorophenyl)-6-ox...)Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2c(NC1=O)cccc2C#N |c:9| Show InChI InChI=1S/C30H25ClF2N4O2/c1-17-4-2-7-25(37-13-11-19(15-26(37)38)28-22(32)9-8-21(31)29(28)33)24-14-18(10-12-35-24)27-20(16-34)5-3-6-23(27)36-30(17)39/h3,5-6,8-10,12,14-15,17,25H,2,4,7,11,13H2,1H3,(H,36,39)/t17-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 98.6 | 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)) | BDBM390199
((10R,14S)-14-[4-(3-chloro-2,6-difluorophenyl)-6-ox...)Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2c(NC1=O)cccc2C#N |c:9| Show InChI InChI=1S/C30H25ClF2N4O2/c1-17-4-2-7-25(37-13-11-19(15-26(37)38)28-22(32)9-8-21(31)29(28)33)24-14-18(10-12-35-24)27-20(16-34)5-3-6-23(27)36-30(17)39/h3,5-6,8-10,12,14-15,17,25H,2,4,7,11,13H2,1H3,(H,36,39)/t17-,25+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 154 | 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 | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM241585
(US9409908, 217)Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2c(NC1=O)cccc2C#N |r,c:9| Show InChI InChI=1S/C30H25ClF2N4O2/c1-17-4-2-7-25(37-13-11-19(15-26(37)38)28-22(32)9-8-21(31)29(28)33)24-14-18(10-12-35-24)27-20(16-34)5-3-6-23(27)36-30(17)39/h3,5-6,8-10,12,14-15,17,25H,2,4,7,11,13H2,1H3,(H,36,39)/t17-,25+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 155 | -40.4 | 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 | |