BDBM50157825 (2R,6S)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza-tricyclo[5.2.1.0*2,6*]decane-3,5-dione::(2R,6S)-4-[4-nitro-3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione::(2S,6R)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza-tricyclo[5.2.1.0*2,6*]decane-3,5-dione::CHEMBL178333
SMILES: Oc1c2C3CCC(C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
InChI Key: InChIKey=DVCCDJPGAPRKGE-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)) | BDBM50157825 ((2R,6S)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2 | 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)) | BDBM50157825 ((2R,6S)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2 | 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 Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells | Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50157825 ((2R,6S)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5 | 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 Inhibition of [3H]-DHT binding to androgen receptor of MDA-453 cells | Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50157825 ((2R,6S)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5 | 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)) | BDBM50157825 ((2R,6S)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 117 | 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 Inhibition of [3H]-DHT binding to androgen receptor of MDA-453 cells | Bioorg Med Chem Lett 15: 389-93 (2004) Article DOI: 10.1016/j.bmcl.2004.10.051 BindingDB Entry DOI: 10.7270/Q2QZ29GJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50157825 ((2R,6S)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza...) | 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 | 12 | 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 |