BDBM50228760 (S)-2-((R)-2-(3-chlorophenyl)-2-hydroxyacetamido)-N-((S)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-yl)-3-methylbutanamide::(S)-2-[(R)-2-(3-chloro-phenyl)-2-hydroxy-acetylamino]-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide::CHEMBL403113
SMILES: [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#8])-c1cccc(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1
InChI Key: InChIKey=MVCIZAJAEQZGMJ-YESZJQIVSA-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 XI (Homo sapiens (Human)) | BDBM50228760 ((S)-2-((R)-2-(3-chlorophenyl)-2-hydroxyacetamido)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories, LLC Curated by ChEMBL | Assay Description Inhibition of F11a | Bioorg Med Chem Lett 16: 3049-54 (2006) Article DOI: 10.1016/j.bmcl.2006.02.052 BindingDB Entry DOI: 10.7270/Q2X34X32 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM50228760 ((S)-2-((R)-2-(3-chlorophenyl)-2-hydroxyacetamido)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 factor 11a | 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 | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM50228760 ((S)-2-((R)-2-(3-chlorophenyl)-2-hydroxyacetamido)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis | J Med Chem 57: 955-69 (2014) Article DOI: 10.1021/jm401670x BindingDB Entry DOI: 10.7270/Q2G44RTQ | |||||||||||
More data for this Ligand-Target Pair |