BDBM50242262 CHEMBL506204::PEDUNCULAGIN
SMILES: OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12
InChI Key: InChIKey=IYMHVUYNBVWXKH-ZITZVVOASA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thrombin (Bos taurus (Bovine)) | BDBM50242262 (CHEMBL506204 | PEDUNCULAGIN) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of bovine thrombin by Lineweaver-Burk plot analysis | J Nat Prod 61: 1356-60 (1999) Article DOI: 10.1021/np9801458 BindingDB Entry DOI: 10.7270/Q2NP2452 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50242262 (CHEMBL506204 | PEDUNCULAGIN) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of human factor 10a | J Nat Prod 61: 1356-60 (1999) Article DOI: 10.1021/np9801458 BindingDB Entry DOI: 10.7270/Q2NP2452 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM50242262 (CHEMBL506204 | PEDUNCULAGIN) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of bovine thrombin-catalyzed hydrolysis of S-2238 | J Nat Prod 61: 1356-60 (1999) Article DOI: 10.1021/np9801458 BindingDB Entry DOI: 10.7270/Q2NP2452 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Squalene monooxygenase (Rattus norvegicus) | BDBM50242262 (CHEMBL506204 | PEDUNCULAGIN) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Shizuoka Curated by ChEMBL | Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia... | J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50242262 (CHEMBL506204 | PEDUNCULAGIN) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of human factor 10a-catalyzed hydrolysis of S-2222 | J Nat Prod 61: 1356-60 (1999) Article DOI: 10.1021/np9801458 BindingDB Entry DOI: 10.7270/Q2NP2452 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM50242262 (CHEMBL506204 | PEDUNCULAGIN) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of bovine thrombin-catalyzed hydrolysis of fibrinogen | J Nat Prod 61: 1356-60 (1999) Article DOI: 10.1021/np9801458 BindingDB Entry DOI: 10.7270/Q2NP2452 | |||||||||||
More data for this Ligand-Target Pair |