BDBM50098600 CHEMBL3594315
SMILES: CC(C)S(=O)(=O)c1ccc(NC(C)=O)cc1[C@H]1CCCN1C(=O)[C@H](Nc1ccc2c(N)nccc2c1)c1ccccc1
InChI Key: InChIKey=KDJVHAKXSVDSAV-PQHLKRTFSA-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 III/Factor VIIa (fVIIa) (Homo sapiens (Human)) | BDBM50098600 (CHEMBL3594315) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of human recombinant TF/F7a complex using S2288 as substrate preincubated for 15 mins followed by protein addition measured for 60 mins | J Med Chem 58: 6225-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00788 BindingDB Entry DOI: 10.7270/Q2DN46TN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |