BDBM50122190 CHEMBL296737::N-(5-chloro-2-ethylcarbamoylmethoxy-benzyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
SMILES: CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
InChI Key: InChIKey=VFOBRZBTHIRLJE-UHFFFAOYSA-N
Data: 3 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)) | BDBM50122190 (CHEMBL296737 | N-(5-chloro-2-ethylcarbamoylmethoxy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of thrombin in human plasma | Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50122190 (CHEMBL296737 | N-(5-chloro-2-ethylcarbamoylmethoxy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of thrombin | Bioorg Med Chem Lett 18: 2062-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.098 BindingDB Entry DOI: 10.7270/Q2P27005 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Homo sapiens (Human)) | BDBM50122190 (CHEMBL296737 | N-(5-chloro-2-ethylcarbamoylmethoxy...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of trypsin in human plasma | Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0 | |||||||||||
More data for this Ligand-Target Pair |