BDBM12667 1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[4-(2-methylimidazol-1-yl)phenyl)aminocarbonyl]pyrazole, Bis(trifluoroacetic acid) Salt::1-(3-amino-1,2-benzoxazol-5-yl)-N-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide; bis(2,2,2-trifluoroacetic acid)::Razaxaban Analogue::aminobenzisoxazole 43
SMILES: Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)cc1
InChI Key: InChIKey=PYSZDOCTWCNJRK-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)) | BDBM12667 (1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.600 | -12.4 | 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)) | BDBM12667 (1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.10E+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 |