BDBM50269230 12-O-[(2R)-N,N-dimethyl-3-methylbutanoyl]-4-deoxyphorbol 13-acetate::CHEMBL500387::N,N-Dimethyl-12-(R-valinoyl)-13-acetyl-4alpha-4-deoxyphorbol
SMILES: CC(C)[C@@H](N(C)C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
InChI Key: InChIKey=VCEYVQJHAJGATA-DMOJNEMLSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclooxygenase (Homo sapiens (Human)) | BDBM50269230 (12-O-[(2R)-N,N-dimethyl-3-methylbutanoyl]-4-deoxyp...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Centro de Investigaciones Químicas de la Universidad Autónoma del Estado de Morelos Curated by ChEMBL | Assay Description Inhibition of human recombinant COX2 | J Nat Prod 69: 887-90 (2006) Article DOI: 10.1021/np0504311 BindingDB Entry DOI: 10.7270/Q2DJ5FDH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM50269230 (12-O-[(2R)-N,N-dimethyl-3-methylbutanoyl]-4-deoxyp...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Centro de Investigaciones Químicas de la Universidad Autónoma del Estado de Morelos Curated by ChEMBL | Assay Description Inhibition of ovine COX1 | J Nat Prod 69: 887-90 (2006) Article DOI: 10.1021/np0504311 BindingDB Entry DOI: 10.7270/Q2DJ5FDH | |||||||||||
More data for this Ligand-Target Pair |