BDBM50295596 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE::5-chloro-N-((3R,5S)-1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenylamino)-2-oxoethyl)-5-(hydroxymethyl)pyrrolidin-3-yl)thiophene-2-carboxamide::CHEMBL550102
SMILES: OC[C@@H]1C[C@H](CN1CC(=O)Nc1ccc(cc1F)-n1ccccc1=O)NC(=O)c1ccc(Cl)s1
InChI Key: InChIKey=FMLMGXAAZAZCMG-ZBFHGGJFSA-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)) | BDBM50295596 (5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 95 | 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) |