BDBM50085449 (3S,6S,8S,8aS)-6-Benzyl-6-hydroxy-8-methoxy-5-oxo-octahydro-indolizine-3-carboxylic acid 4-carbamimidoyl-benzylamide; hydrochloride::CHEMBL558594
SMILES: CO[C@H]1C[C@@](O)(Cc2ccccc2)C(=O)N2[C@H]1CC[C@H]2C(=O)NCc1ccc(cc1)C(N)=N
InChI Key: InChIKey=VQQKGVYMJPVDSD-UKDJSQQHSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prothrombin (Homo sapiens (Human)) | BDBM50085449 ((3S,6S,8S,8aS)-6-Benzyl-6-hydroxy-8-methoxy-5-oxo-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description Concentration required for 50 percent inhibition of Prothrombin | Bioorg Med Chem Lett 10: 243-7 (2000) BindingDB Entry DOI: 10.7270/Q2K9381W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM50085449 ((3S,6S,8S,8aS)-6-Benzyl-6-hydroxy-8-methoxy-5-oxo-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description Compound was tested for inhibitory activity against Coagulation factor XIa | Bioorg Med Chem Lett 12: 2907-11 (2002) BindingDB Entry DOI: 10.7270/Q2ZS2X22 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50085449 ((3S,6S,8S,8aS)-6-Benzyl-6-hydroxy-8-methoxy-5-oxo-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description Compound was tested for inhibitory activity against Thrombin | Bioorg Med Chem Lett 12: 2907-11 (2002) BindingDB Entry DOI: 10.7270/Q2ZS2X22 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50085449 ((3S,6S,8S,8aS)-6-Benzyl-6-hydroxy-8-methoxy-5-oxo-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description Compound was tested for inhibitory activity against Plasmin | Bioorg Med Chem Lett 12: 2907-11 (2002) BindingDB Entry DOI: 10.7270/Q2ZS2X22 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50085449 ((3S,6S,8S,8aS)-6-Benzyl-6-hydroxy-8-methoxy-5-oxo-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description Concentration required for 50 percent inhibition of Prothrombin | Bioorg Med Chem Lett 10: 243-7 (2000) BindingDB Entry DOI: 10.7270/Q2K9381W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor VII (Homo sapiens (Human)) | BDBM50085449 ((3S,6S,8S,8aS)-6-Benzyl-6-hydroxy-8-methoxy-5-oxo-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description Compound was tested for inhibitory activity against Coagulation factor VIIa | Bioorg Med Chem Lett 12: 2907-11 (2002) BindingDB Entry DOI: 10.7270/Q2ZS2X22 | |||||||||||
More data for this Ligand-Target Pair |