null
SMILES: COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1C#N
InChI Key: InChIKey=SPXOTFDBWDBJRN-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Plasma kallikrein (Homo sapiens (Human)) | BDBM408768![]() (N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalvista Pharmaceuticals Limited US Patent | Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods. Human plasma kallikrein (Protogen) was incubated at 2... | US Patent US10364238 (2019) BindingDB Entry DOI: 10.7270/Q2J968QP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kallikrein-1 (Homo sapiens (Human)) | BDBM408768![]() (N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | MCE PC cid PC sid UniChem | US Patent | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalvista Pharmaceuticals Limited US Patent | Assay Description KLK1 inhibitory activity in vitro was determined using standard published methods. Human KLK1 (Callbiochem) was incubated at 25° C. with the fluorog... | US Patent US10364238 (2019) BindingDB Entry DOI: 10.7270/Q2J968QP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasma kallikrein (Homo sapiens (Human)) | BDBM408768![]() (N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | MCE PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a |
Shire Human Genetic Therapies, Inc. US Patent | Assay Description Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s... | US Patent US10730874 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasma kallikrein (Homo sapiens (Human)) | BDBM408768![]() (N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | MCE PC cid PC sid UniChem | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kallikrein-1 (Homo sapiens (Human)) | BDBM408768![]() (N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | MCE PC cid PC sid UniChem | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasma kallikrein (Homo sapiens (Human)) | BDBM408768![]() (N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
KALVISTA PHARMACEUTICALS LIMITED US Patent | Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8... | US Patent US11001578 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasma kallikrein (Homo sapiens (Human)) | BDBM408768![]() (N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | MCE PC cid PC sid UniChem | n/a | n/a | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasma kallikrein (Homo sapiens (Human)) | BDBM408768![]() (N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | MCE PC cid PC sid UniChem | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kallikrein-1 (Homo sapiens (Human)) | BDBM408768![]() (N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | MCE PC cid PC sid UniChem | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM408768![]() (N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | MCE PC cid PC sid UniChem | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XII (Homo sapiens (Human)) | BDBM408768![]() (N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | MCE PC cid PC sid UniChem | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasma kallikrein (Homo sapiens (Human)) | BDBM408768![]() (N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | MCE PC cid PC sid UniChem | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kallikrein-1 (Homo sapiens (Human)) | BDBM408768![]() (N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | MCE PC cid PC sid UniChem | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kallikrein-1 (Homo sapiens (Human)) | BDBM408768![]() (N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]-3-(me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | MCE PC cid PC sid UniChem | US Patent | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
KALVISTA PHARMACEUTICALS LIMITED US Patent | Assay Description KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ... | US Patent US11001578 (2021) | |||||||||||
More data for this Ligand-Target Pair |