BDBM12664 1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[2-fluoro-4-(N-pyrrolidinocarbonyl)phenylaminocarbonyl]-pyrazole Trifluoroacetate, Trifluoroacetic Acid Salt::1-(3-amino-1,2-benzoxazol-5-yl)-N-[2-fluoro-4-(pyrrolidin-1-ylcarbonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide; 2,2,2-trifluoroacetic acid::Razaxaban Analogue::aminobenzisoxazole 40
SMILES: Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)C(=O)N1CCCC1)C(F)(F)F
InChI Key: InChIKey=XFHPQLVMJVEBAR-UHFFFAOYSA-N
Data: 3 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 X (Homo sapiens (Human)) | BDBM12664 (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 | 0.920 | -12.2 | 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 | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM12664 (1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | >5.20E+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 | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM12664 (1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-5-[...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 8.00E+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 |