BDBM50037973 (R)-N-((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-2-(naphthalene-2-sulfonylamino)-3-phenyl-propionamide; hydrochloride::CHEMBL544830
SMILES: NC(=N)N1CCC[C@@H](CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3ccccc3c2)C1
InChI Key: InChIKey=WWJJOLLOSVQTGQ-GBXCKJPGSA-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)) | BDBM50037973 ((R)-N-((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description In vitro binding affinity by measuring the inhibition of human thrombin | J Med Chem 37: 3889-901 (1994) BindingDB Entry DOI: 10.7270/Q25X29KK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50037973 ((R)-N-((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description In vitro binding affinity by measuring the inhibition of human thrombin | J Med Chem 37: 3889-901 (1994) BindingDB Entry DOI: 10.7270/Q25X29KK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM50037973 ((R)-N-((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description In vitro binding affinity by measuring the inhibition of bovine trypsin | J Med Chem 37: 3889-901 (1994) BindingDB Entry DOI: 10.7270/Q25X29KK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM50037973 ((R)-N-((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description In vitro binding affinity by measuring the inhibition of bovine trypsin | J Med Chem 37: 3889-901 (1994) BindingDB Entry DOI: 10.7270/Q25X29KK | |||||||||||
More data for this Ligand-Target Pair |