BDBM50078553 (3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-5-(3-diethylcarbamoyl-phenyl)-2-oxo-3,3a,8,8a-tetrahydro-2H-indeno[2,1-b]pyrrole-1-carboxylic acid methyl ester::CHEMBL295886
SMILES: CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3C(=O)OC)c2c1
InChI Key: InChIKey=UJKVEAALZSDOIJ-CWDLOFLHSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Trypsin-1 (Homo sapiens (Human)) | BDBM50078553 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-5-(3-diethy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development Curated by ChEMBL | Assay Description Inhibition of trypsin | Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50078553 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-5-(3-diethy...) | 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 | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development Curated by ChEMBL | Assay Description Inhibition of activated Coagulation factor X | Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50078553 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-5-(3-diethy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development Curated by ChEMBL | Assay Description Inhibition of thrombin | Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q | |||||||||||
More data for this Ligand-Target Pair |