BDBM50037983 (2R,4R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid ethyl ester; compound with acetic acid::CHEMBL409333
SMILES: CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
InChI Key: InChIKey=FFXXELZENRRABS-YGKRLXNZSA-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)) | BDBM50037983 ((2R,4R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.10 | 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)) | BDBM50037983 ((2R,4R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.10E+3 | 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 |