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 XI
(Homo sapiens (Human)) | BDBM241576
(US9409908, 208 | US9951071, Example 208)Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2C#N)c2cc(ccn2)-c2c(F)c(F)ccc2NC1=O |r,c:9| Show InChI InChI=1S/C30H24ClF3N4O2/c1-16-3-2-4-24(38-12-10-18(14-25(38)39)26-19(15-35)5-6-20(31)28(26)33)23-13-17(9-11-36-23)27-22(37-30(16)40)8-7-21(32)29(27)34/h5-9,11,13-14,16,24H,2-4,10,12H2,1H3,(H,37,40)/t16-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 1 | 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 | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM241576
(US9409908, 208 | US9951071, Example 208)Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2C#N)c2cc(ccn2)-c2c(F)c(F)ccc2NC1=O |r,c:9| Show InChI InChI=1S/C30H24ClF3N4O2/c1-16-3-2-4-24(38-12-10-18(14-25(38)39)26-19(15-35)5-6-20(31)28(26)33)23-13-17(9-11-36-23)27-22(37-30(16)40)8-7-21(32)29(27)34/h5-9,11,13-14,16,24H,2-4,10,12H2,1H3,(H,37,40)/t16-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1 | 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 | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM241576
(US9409908, 208 | US9951071, Example 208)Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2C#N)c2cc(ccn2)-c2c(F)c(F)ccc2NC1=O |r,c:9| Show InChI InChI=1S/C30H24ClF3N4O2/c1-16-3-2-4-24(38-12-10-18(14-25(38)39)26-19(15-35)5-6-20(31)28(26)33)23-13-17(9-11-36-23)27-22(37-30(16)40)8-7-21(32)29(27)34/h5-9,11,13-14,16,24H,2-4,10,12H2,1H3,(H,37,40)/t16-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 3.10 | 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)) | BDBM241576
(US9409908, 208 | US9951071, Example 208)Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2C#N)c2cc(ccn2)-c2c(F)c(F)ccc2NC1=O |r,c:9| Show InChI InChI=1S/C30H24ClF3N4O2/c1-16-3-2-4-24(38-12-10-18(14-25(38)39)26-19(15-35)5-6-20(31)28(26)33)23-13-17(9-11-36-23)27-22(37-30(16)40)8-7-21(32)29(27)34/h5-9,11,13-14,16,24H,2-4,10,12H2,1H3,(H,37,40)/t16-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 3.10 | -50.5 | 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 | |