BDBM50076945 (S)-1-((R)-3-Cyclohexyl-2-ethanesulfonylamino-propionyl)-pyrrolidine-2-carboxylic acid ((S)-2-oxo-1-piperidin-4-ylmethyl-2-thiazol-2-yl-ethyl)-amide::(S)-1-((R)-3-cyclohexyl-2-(ethylsulfonamido)propanoyl)-N-((S)-1-oxo-3-(piperidin-4-yl)-1-(thiazol-2-yl)propan-2-yl)pyrrolidine-2-carboxamide::CHEMBL22100
SMILES: CCS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1CCNCC1)C(=O)c1nccs1
InChI Key: InChIKey=QKNLMIPXSWFEPI-ZRBLBEILSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor X (Homo sapiens (Human)) | BDBM50076945 ((S)-1-((R)-3-Cyclohexyl-2-ethanesulfonylamino-prop...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Research and Development Curated by ChEMBL | Assay Description Inhibitory activity against Coagulation factor X with respect to Argatroban | Bioorg Med Chem Lett 9: 1227-32 (1999) BindingDB Entry DOI: 10.7270/Q2XW4K9J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50076945 ((S)-1-((R)-3-Cyclohexyl-2-ethanesulfonylamino-prop...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Inhibition of human alpha-thrombin | Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50076945 ((S)-1-((R)-3-Cyclohexyl-2-ethanesulfonylamino-prop...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Research and Development Curated by ChEMBL | Assay Description Inhibitory activity against thrombin with respect to Argatroban | Bioorg Med Chem Lett 9: 1227-32 (1999) BindingDB Entry DOI: 10.7270/Q2XW4K9J | |||||||||||
More data for this Ligand-Target Pair |