BDBM12675 1-(3-amino-1,2-benzoxazol-5-yl)-N-(2-fluoro-4-{2-[(methylamino)methyl]-1H-imidazol-1-yl}phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide; bis(2,2,2-trifluoroacetic acid)::N-[4-(2-{[Methylamino]methyl}-1H-imidazol-1-yl)-2-fluorophenyl]-1-(3-amino-1,2-benzisoxazol-5-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, Bis(trifluoroacetic acid) Salt::Razaxaban Analogue::aminobenzisoxazole 12
SMILES: CNCc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
InChI Key: InChIKey=XHPFWZMUFYSOAQ-UHFFFAOYSA-N
Data: 2 KI
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to 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 X (Homo sapiens (Human)) | BDBM12675 (1-(3-amino-1,2-benzoxazol-5-yl)-N-(2-fluoro-4-{2-[...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.170 | -13.2 | n/a | n/a | n/a | n/a | n/a | 7.0 | 22 |
Bristol-Myers Squibb Pharmaceutical Research Institute | Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter... | J Med Chem 48: 1729-44 (2005) Article DOI: 10.1021/jm0497949 BindingDB Entry DOI: 10.7270/Q2BK19K9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM12675 (1-(3-amino-1,2-benzoxazol-5-yl)-N-(2-fluoro-4-{2-[...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute | Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter... | J Med Chem 48: 1729-44 (2005) Article DOI: 10.1021/jm0497949 BindingDB Entry DOI: 10.7270/Q2BK19K9 | |||||||||||
More data for this Ligand-Target Pair |