BDBM303795 4-{[2-(11′-Chloro-2′,5′-dioxo-2′,5′,6′,8′-tetrahydro-3′H-spiro[cyclopropane-1,7′-pyrido[3,4-e][3]benzazocine]-3′-yl)-4-methoxybutanoyl]amino}-2-fluorobenzamide (Stereoisomer Mixture)::US10138236, Example 13
SMILES: COCCC(C(=O)Nc1ccc(C(N)=O)c(F)c1)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O
InChI Key: InChIKey=BPCDFQQYUDAWIS-UHFFFAOYSA-N
Data: 2 IC50
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)) | BDBM303795 (4-{[2-(11′-Chloro-2′,5′-dioxo-2&...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER PHARMA AKTIENGESELLSCHAFT US Patent | Assay Description o determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the react... | US Patent US10138236 (2018) BindingDB Entry DOI: 10.7270/Q2445PH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM303795 (4-{[2-(11′-Chloro-2′,5′-dioxo-2&...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 27 | 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 US10138236 (2018) BindingDB Entry DOI: 10.7270/Q2445PH4 | |||||||||||
More data for this Ligand-Target Pair |