BDBM50288401 CHEMBL317587::N-[(5-Amino-1-dihydroxyboranyl-pentylcarbamoyl)-methyl]-N-methyl-benzamide
SMILES: CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1
InChI Key: InChIKey=KQLFOHCZQOSLFS-ZDUSSCGKSA-N
Data: 2 KI
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)) | BDBM50288401 (CHEMBL317587 | N-[(5-Amino-1-dihydroxyboranyl-pent...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 123 | 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 | |||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM50288401 (CHEMBL317587 | N-[(5-Amino-1-dihydroxyboranyl-pent...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 1.00E+3 | 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 |