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BDBM50157821 (2R,6S,8S,10R)-4-[3-(trifluoromethyl)phenyl]-4-azatetracyclo[5.3.2.0^{2,6}.0^{8,10}]dodec-11-ene-3,5-dione::CHEMBL182993
SMILES: Oc1c2C3C=CC([C@@H]4C[C@H]34)c2c(O)n1-c1cccc(c1)C(F)(F)F
InChI Key: InChIKey=SDYADZMWEXRUPW-BPNZPQAUSA-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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Androgen Receptor (Homo sapiens (Human)) | BDBM50157821 ((2R,6S,8S,10R)-4-[3-(trifluoromethyl)phenyl]-4-aza...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet  | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding affinity for mutant T877A Androgen receptor in human LNCaP cells | Bioorg Med Chem Lett 15: 271-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.085 BindingDB Entry DOI: 10.7270/Q2N58KVH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Androgen Receptor (Homo sapiens (Human)) | BDBM50157821 ((2R,6S,8S,10R)-4-[3-(trifluoromethyl)phenyl]-4-aza...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding affinity for androgen receptor in human MDA-453 cells | Bioorg Med Chem Lett 15: 271-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.085 BindingDB Entry DOI: 10.7270/Q2N58KVH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Androgen Receptor (Homo sapiens (Human)) | BDBM50157821 ((2R,6S,8S,10R)-4-[3-(trifluoromethyl)phenyl]-4-aza...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of androgen receptor in human MDA-453 cells | Bioorg Med Chem Lett 15: 271-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.085 BindingDB Entry DOI: 10.7270/Q2N58KVH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Androgen Receptor (Homo sapiens (Human)) | BDBM50157821 ((2R,6S,8S,10R)-4-[3-(trifluoromethyl)phenyl]-4-aza...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of androgen dependent human prostate cancer cell MDA-MB-PCa2b proliferation | Bioorg Med Chem Lett 15: 271-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.085 BindingDB Entry DOI: 10.7270/Q2N58KVH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Androgen Receptor (Homo sapiens (Human)) | BDBM50157821 ((2R,6S,8S,10R)-4-[3-(trifluoromethyl)phenyl]-4-aza...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of mutant T877A Androgen receptor in human LNCaP cells | Bioorg Med Chem Lett 15: 271-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.085 BindingDB Entry DOI: 10.7270/Q2N58KVH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
