BDBM50118723 CHEMBL342672::CYCLOTHEONAMIDE A::N-[14-Benzyl-18-(3-guanidino-propyl)-11-(4-hydroxy-benzyl)-4,8,13,16,17,20-hexaoxo-1,2,3,5,6,7,8,11,12,13,14,15,16,17,18,19,20,20a-octadecahydro-4H-3a,7,12,15,19-pentaaza-cyclopentacyclononadecen-5-yl]-formamide
SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#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](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-1=O)-[#7]-[#6]=O
InChI Key: InChIKey=CDWXSPKJKIUEQF-BIXWYCRZSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prothrombin (Homo sapiens (Human)) | BDBM50118723 (CHEMBL342672 | CYCLOTHEONAMIDE A | N-[14-Benzyl-18...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research and Development Curated by ChEMBL | Assay Description Inhibitory activity against thrombin. | J Med Chem 45: 4419-32 (2002) BindingDB Entry DOI: 10.7270/Q2SX6DZV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50118723 (CHEMBL342672 | CYCLOTHEONAMIDE A | N-[14-Benzyl-18...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite£ de Sherbrooke Curated by ChEMBL | Assay Description Inhibition of thrombin | J Med Chem 54: 1961-2004 (2011) Article DOI: 10.1021/jm1012374 BindingDB Entry DOI: 10.7270/Q28C9XDV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50118723 (CHEMBL342672 | CYCLOTHEONAMIDE A | N-[14-Benzyl-18...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 23 | 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)) | BDBM50118723 (CHEMBL342672 | CYCLOTHEONAMIDE A | N-[14-Benzyl-18...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal Curated by ChEMBL | Assay Description Inhibition of factor 2a | Bioorg Med Chem Lett 20: 6925-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.141 BindingDB Entry DOI: 10.7270/Q237790B | |||||||||||
More data for this Ligand-Target Pair |