BDBM50090248 CHEMBL43397::Methyl-carbamic acid 8-{(S)-1-benzothiazol-2-ylmethyl-2-[4-(2-fluoro-ethyl)-piperidin-1-yl]-2-oxo-ethylsulfamoyl}-3,3-dimethyl-1,2,3,4-tetrahydro-quinolin-6-ylmethyl ester
SMILES: CNC(=O)OCc1cc2CC(C)(C)CNc2c(c1)S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1
InChI Key: InChIKey=LWZILCZADBISCL-DEOSSOPVSA-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)) | BDBM50090248 (CHEMBL43397 | Methyl-carbamic acid 8-{(S)-1-benzot...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre Curated by ChEMBL | Assay Description Evaluated for the binding affinity against thrombin | Bioorg Med Chem Lett 10: 1567-70 (2000) BindingDB Entry DOI: 10.7270/Q2RX9BBS | |||||||||||
More data for this Ligand-Target Pair |