BDBM50288414 1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid (5-amino-1-dihydroxyboranyl-pentyl)-amide::AC-(D)PHE-PRO-BOROLYS-OH::CHEMBL100109
SMILES: CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)B(O)O
InChI Key: InChIKey=UCQIHCRMWNRFNP-QYZOEREBSA-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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Thrombin and coagulation factor X (Homo sapiens (Human)) | BDBM50288414![]() (1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | PDB Article | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro for inhibition of thrombin. | Bioorg Med Chem Lett 6: 2913-2918 (1996) Article DOI: 10.1016/S0960-894X(96)00525-2 BindingDB Entry DOI: 10.7270/Q2V40V6S | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM50288414![]() (1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...) | PDB UniProtKB/SwissProt GoogleScholar | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | PDB Article | 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Concentration necessary to double time for clot formation induced by bovine thrombin | Bioorg Med Chem Lett 6: 2913-2918 (1996) Article DOI: 10.1016/S0960-894X(96)00525-2 BindingDB Entry DOI: 10.7270/Q2V40V6S | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |