BDBM50125253 3-(3-Amino-4-chloro-phenyl)-5-[1,2,4]triazol-1-ylmethyl-4,5-dihydro-isoxazole-5-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyridin-2-yl]-amide::CHEMBL7676
SMILES: Nc1cc(ccc1Cl)C1=NOC(Cn2cncn2)(C1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O
InChI Key: InChIKey=XFEYXCNBFQHPPE-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)) | BDBM50125253 (3-(3-Amino-4-chloro-phenyl)-5-[1,2,4]triazol-1-ylm...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co. Curated by ChEMBL | Assay Description Inhibitory activity against factor Xa using human purified enzyme. | Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50125253 (3-(3-Amino-4-chloro-phenyl)-5-[1,2,4]triazol-1-ylm...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co. Curated by ChEMBL | Assay Description Inhibitory activity against trypsin using human purified enzyme | Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50125253 (3-(3-Amino-4-chloro-phenyl)-5-[1,2,4]triazol-1-ylm...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co. Curated by ChEMBL | Assay Description Inhibitory activity against thrombin using human purified enzyme | Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ | |||||||||||
More data for this Ligand-Target Pair |