BDBM50081092 CHEMBL85238::N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-3-cyclohexylmethanesulfonylamino-7-methoxy-2-oxo-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-acetamide; TFA
SMILES: COc1ccc2N(CC(=O)N[C@H]3CCCN(C3O)C(N)=N)C(=O)[C@H](CCc2c1)NS(=O)(=O)CC1CCCCC1
InChI Key: InChIKey=DRTWJAWLWULICG-GAIPOIILSA-N
Data: 5 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor X (Homo sapiens (Human)) | BDBM50081092 (CHEMBL85238 | N-((S)-1-Carbamimidoyl-2-hydroxy-pip...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc. Curated by ChEMBL | Assay Description In vitro inhibitory activity of the compound against human enzyme Coagulation factor X | Bioorg Med Chem Lett 9: 2573-8 (1999) BindingDB Entry DOI: 10.7270/Q26M361R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50081092 (CHEMBL85238 | N-((S)-1-Carbamimidoyl-2-hydroxy-pip...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 829 | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc. Curated by ChEMBL | Assay Description In vitro inhibitory activity of the compound against human enzyme thrombin | Bioorg Med Chem Lett 9: 2573-8 (1999) BindingDB Entry DOI: 10.7270/Q26M361R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50081092 (CHEMBL85238 | N-((S)-1-Carbamimidoyl-2-hydroxy-pip...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc. Curated by ChEMBL | Assay Description In vitro inhibitory activity against human prothrombinase | Bioorg Med Chem Lett 9: 2573-8 (1999) BindingDB Entry DOI: 10.7270/Q26M361R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50081092 (CHEMBL85238 | N-((S)-1-Carbamimidoyl-2-hydroxy-pip...) | 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 | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc. Curated by ChEMBL | Assay Description In vitro inhibitory activity of the compound against human enzyme plasmin | Bioorg Med Chem Lett 9: 2573-8 (1999) BindingDB Entry DOI: 10.7270/Q26M361R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50081092 (CHEMBL85238 | N-((S)-1-Carbamimidoyl-2-hydroxy-pip...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc. Curated by ChEMBL | Assay Description In vitro inhibitory activity of the compound against human enzyme trypsin | Bioorg Med Chem Lett 9: 2573-8 (1999) BindingDB Entry DOI: 10.7270/Q26M361R | |||||||||||
More data for this Ligand-Target Pair |