BDBM50080913 (S)-2-{2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propyl)-piperazin-1-yl]-acetylamino}-3-(1-carbamimidoyl-piperidin-3-yl)-N-methyl-propionamide::CHEMBL310722
SMILES: CNC(=O)[C@H](CC1CCCN(C1)C(N)=N)NC(=O)CN1[C@H](Cc2ccccc2)C(=O)N(CCCc2ccccc2)CC1=O
InChI Key: InChIKey=LAWJGTHRQJWMDO-GDRMZMBQSA-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)) | BDBM50080913 ((S)-2-{2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Inhibition of thrombin | Bioorg Med Chem Lett 9: 2503-8 (1999) BindingDB Entry DOI: 10.7270/Q2028QRW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50080913 ((S)-2-{2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Inhibitory concentration of the compound required against trypsin was determined | Bioorg Med Chem Lett 9: 2503-8 (1999) BindingDB Entry DOI: 10.7270/Q2028QRW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50080913 ((S)-2-{2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Inhibition of thrombin | Bioorg Med Chem Lett 9: 2503-8 (1999) BindingDB Entry DOI: 10.7270/Q2028QRW | |||||||||||
More data for this Ligand-Target Pair |