BDBM50157822 (2R,6S)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricyclo[5.2.2.0*2,6*]undec-8-ene-3,5-dione::CHEMBL182412
SMILES: Oc1c2C3CCC(C=C3)c2c(O)n1-c1cccc(c1)C(F)(F)F
InChI Key: InChIKey=AZHUMAUVMPTZRY-UHFFFAOYSA-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)) | BDBM50157822 ((2R,6S)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricycl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 19 | 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)) | BDBM50157822 ((2R,6S)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricycl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 100 | 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)) | BDBM50157822 ((2R,6S)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricycl...) | 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 | 196 | 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)) | BDBM50157822 ((2R,6S)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricycl...) | 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 | 0.400 | 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)) | BDBM50157822 ((2R,6S)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricycl...) | 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 | 66 | 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 |