BDBM50295595 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE::5-chloro-N-((3S,4S)-4-fluoro-1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenylamino)-2-oxoethyl)pyrrolidin-3-yl)thiophene-2-carboxamide::CHEMBL550453
SMILES: F[C@H]1CN(CC(=O)Nc2ccc(cc2F)-n2ccccc2=O)C[C@@H]1NC(=O)c1ccc(Cl)s1
InChI Key: InChIKey=SXIYSYYSKHUTQQ-RDJZCZTQSA-N
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 |
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Coagulation factor X (Homo sapiens (Human)) | BDBM50295595 (5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FL...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann - La Roche Ltd Curated by ChEMBL | Assay Description Binding affinity to factor 10a | Eur J Med Chem 44: 2787-95 (2009) Article DOI: 10.1016/j.ejmech.2008.12.025 BindingDB Entry DOI: 10.7270/Q2CV4HSP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |