BDBM50155875 CHEMBL264131::Doxorubicin-Formaldehyde Conjugate
SMILES: COc1cccc2C(=O)c3c(O)c4C[C@](O)(CC(OC5C[C@H](NCNC(=O)c6cc(COCC#CCN7C(=O)N(C(=O)C7(C)C)c7ccc(C#N)c(c7)C(F)(F)F)ccc6O)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
InChI Key: InChIKey=TZYXGPPDPJEZFJ-RDMWMZEBSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Androgen receptor (Homo sapiens (Human)) | BDBM50155875 (CHEMBL264131 | Doxorubicin-Formaldehyde Conjugate) | 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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado Curated by ChEMBL | Assay Description Inhibition of [3H]-Mibolerone binding to human Androgen receptor of PC3/AR Cell Lysate | J Med Chem 47: 5690-9 (2004) Article DOI: 10.1021/jm0495226 BindingDB Entry DOI: 10.7270/Q2X066HG | |||||||||||
More data for this Ligand-Target Pair |