BDBM50077049 CHEMBL24186::Methyl-carbamic acid 2-{1-[(S)-3-benzothiazol-2-yl-2-(3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-propionyl]-piperidin-4-yl}-ethyl ester
SMILES: CNC(=O)OCCC1CCN(CC1)C(=O)[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1cccc2CC(C)(C)CNc12
InChI Key: InChIKey=AIBPXPDBMXDYCO-QHCPKHFHSA-N
Data: 1 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)) | BDBM50077049 (CHEMBL24186 | Methyl-carbamic acid 2-{1-[(S)-3-ben...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Center Curated by ChEMBL | Assay Description Inhibition of human thrombin (in vitro) | Bioorg Med Chem Lett 9: 1317-22 (1999) BindingDB Entry DOI: 10.7270/Q2ZW1K31 | |||||||||||
More data for this Ligand-Target Pair |