BDBM50269601 CHEMBL507449::cyclotheonamide E
SMILES: [#6]-[#6]-[#6@@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)\[#6]=[#6]\[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-c1ccccc1
InChI Key: InChIKey=JAVOTTCUBDNFEA-YFQACERUSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prothrombin (Homo sapiens (Human)) | BDBM50269601 (CHEMBL507449 | cyclotheonamide E) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Inhibition of thrombin | J Nat Prod 61: 667-70 (1998) Article DOI: 10.1021/np970544n BindingDB Entry DOI: 10.7270/Q2GB24XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50269601 (CHEMBL507449 | cyclotheonamide E) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 16.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Kirin Brewery Co., Ltd. Curated by ChEMBL | Assay Description Inhibition of human thrombin | J Nat Prod 65: 259-61 (2002) BindingDB Entry DOI: 10.7270/Q2V40TZ7 | |||||||||||
More data for this Ligand-Target Pair |