BDBM50062624 (S)-1-(2,3-Dihydro-benzo[1,4]dioxine-2-carbonyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide::CHEMBL420689
SMILES: NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C2COc3ccccc3O2)CC1
InChI Key: InChIKey=NDXXIBJDVBVFKU-LDWRGQNGSA-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 |
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Prothrombin (Homo sapiens (Human)) | BDBM50062624 ((S)-1-(2,3-Dihydro-benzo[1,4]dioxine-2-carbonyl)-p...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity towards thrombin was determined | J Med Chem 41: 401-6 (1998) Article DOI: 10.1021/jm9705014 BindingDB Entry DOI: 10.7270/Q2H995V2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50062624 ((S)-1-(2,3-Dihydro-benzo[1,4]dioxine-2-carbonyl)-p...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of thrombin-catalyzed hydrolysis of a standard substrate | J Med Chem 41: 401-6 (1998) Article DOI: 10.1021/jm9705014 BindingDB Entry DOI: 10.7270/Q2H995V2 | |||||||||||
More data for this Ligand-Target Pair |