BDBM285990 Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]ethyl}carbamoyl)-2,10-dioxo-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecin-13-yl]carbamate::US10081623, Example 3
SMILES: COC(=O)Nc1ccc2c(NC(=O)CCCCC[C@@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1
InChI Key: InChIKey=MTDWONZHWZACQI-HXUWFJFHSA-N
Data: 1 KI
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)) | BDBM285990 (Methyl N-[8-({2-[5-chloro-2-(1H-1,2,3,4-tetrazol-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 41.9 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
Bristol-Myers Squibb Company US Patent | Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm... | US Patent US10081623 (2018) BindingDB Entry DOI: 10.7270/Q24B33CM | |||||||||||
More data for this Ligand-Target Pair |