null
SMILES: CC[C@@H](C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
InChI Key: InChIKey=XYWIPYBIIRTJMM-IBGZPJMESA-N
PDB links: 1 PDB ID matches this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor XI (Homo sapiens (Human)) | BDBM413842![]() (4-({(2S)-2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid PDB UniChem | US Patent | n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER PHARMA AKTIENGESELLSCHAFT US Patent | Assay Description The factor XIa inhibition of the substances according to the invention is determined using a biochemical test system which utilizes the reaction of a... | US Patent US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasma kallikrein (Homo sapiens (Human)) | BDBM413842![]() (4-({(2S)-2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid PDB UniChem | US Patent | n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Plasma Kallikrein: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; ... | Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM413842![]() (4-({(2S)-2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid PDB UniChem | US Patent | n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin... | Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasma kallikrein (Homo sapiens (Human)) | BDBM413842![]() (4-({(2S)-2-[4-{5-Chloro-2-[4-(trifluoromethyl)-1H-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid PDB UniChem | US Patent | n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER PHARMA AKTIENGESELLSCHAFT US Patent | Assay Description To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac... | US Patent US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967 | |||||||||||
More data for this Ligand-Target Pair |