BDBM50110387 4-{2-[(S)-5-((S)-2,3-Dihydro-benzofuran-5-sulfonylamino)-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indol-2-yl]-2-oxo-ethyl}-piperidine-1-carboxamidine::CHEMBL163312
SMILES: NC(=N)N1CCC(CC(=O)[C@@H]2Cc3cccc4CC[C@H](NS(=O)(=O)c5ccc6OCCc6c5)C(=O)N2c34)CC1
InChI Key: InChIKey=XJJMRYCODRNFRY-GOTSBHOMSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Trypsin (Homo sapiens (Human)) | BDBM50110387 (4-{2-[(S)-5-((S)-2,3-Dihydro-benzofuran-5-sulfonyl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc. Curated by ChEMBL | Assay Description Inhibitory constant against trypsin determined in Vitro | Bioorg Med Chem Lett 12: 743-8 (2002) BindingDB Entry DOI: 10.7270/Q25B0319 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50110387 (4-{2-[(S)-5-((S)-2,3-Dihydro-benzofuran-5-sulfonyl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc. Curated by ChEMBL | Assay Description Inhibitory constant against human thrombin (FIIa) determined in vitro | Bioorg Med Chem Lett 12: 743-8 (2002) BindingDB Entry DOI: 10.7270/Q25B0319 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50110387 (4-{2-[(S)-5-((S)-2,3-Dihydro-benzofuran-5-sulfonyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc. Curated by ChEMBL | Assay Description Inhibitory constant against human Coagulation factor Xa determined in Vitro | Bioorg Med Chem Lett 12: 743-8 (2002) BindingDB Entry DOI: 10.7270/Q25B0319 | |||||||||||
More data for this Ligand-Target Pair |