BDBM50156515 (1R,2R,6S,7S)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza-tricyclo[5.2.1.0*2,6*]decane-3,5-dione::CHEMBL188297
SMILES: Oc1c2[C@H]3CC[C@H](C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
InChI Key: InChIKey=DVCCDJPGAPRKGE-OCAPTIKFSA-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)) | BDBM50156515 ((1R,2R,6S,7S)-4-(4-Nitro-3-trifluoromethyl-phenyl)...) | 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 Displacement of [3H]-DHT from androgen receptor of human MDA-453 cells | Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50156515 ((1R,2R,6S,7S)-4-(4-Nitro-3-trifluoromethyl-phenyl)...) | 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 human androgen receptor of breast carcinoma MDA-453 cells in reporter gene assay | 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)) | BDBM50156515 ((1R,2R,6S,7S)-4-(4-Nitro-3-trifluoromethyl-phenyl)...) | 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 | 114 | 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 human androgen receptor of breast carcinoma MDA-453 cells in reporter gene assay | 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)) | BDBM50156515 ((1R,2R,6S,7S)-4-(4-Nitro-3-trifluoromethyl-phenyl)...) | 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 | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description In vitro antagonistic activity against mutant androgen receptor of LNCap cells | Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50156515 ((1R,2R,6S,7S)-4-(4-Nitro-3-trifluoromethyl-phenyl)...) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description In vitro antagonistic activity against androgen receptor of MDA-453 cells | Bioorg Med Chem Lett 14: 6107-11 (2004) Article DOI: 10.1016/j.bmcl.2004.09.049 BindingDB Entry DOI: 10.7270/Q2T1533W | |||||||||||
More data for this Ligand-Target Pair |