BDBM50029508 1N-[1-{2-[4-amino(imino)methylamino-1-formyl-(1S)-butylcarbamoyl]-1-azetanylcarbonyl}-1-phenyl-(1R)-propyl]-2,2,2-trifluoroacetamide::CHEMBL2370863
SMILES: [#6]-[#6][C@]([#7]-[#6](=O)C(F)(F)F)([#6](=O)-[#7]-1-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O)c1ccccc1
InChI Key: InChIKey=JENYGWQXHGTKSF-CKJXQJPGSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thrombin (Bos taurus (Bovine)) | BDBM50029508 (1N-[1-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro Enzyme Inhibitory activity measured against Thrombin | J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50029508 (1N-[1-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...) | 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 | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro Enzyme Inhibitory activity measured against Plasmin | J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tissue-type plasminogen activator (Homo sapiens (Human)) | BDBM50029508 (1N-[1-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...) | 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 | 6.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro Enzyme Inhibitory activity against t-PA(Tissue plasminogen activator). | J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM50029508 (1N-[1-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro Enzyme Inhibitory activity measured against Trypsin | J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Bos taurus) | BDBM50029508 (1N-[1-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro Enzyme Inhibitory activity measured against Coagulation factor X | J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV | |||||||||||
More data for this Ligand-Target Pair |