BDBM50077104 CHEMBL431493::Cis-(4aR,12bS)-11-Trifluoromethyl-2,3,4,4a,5,6,8,12b-octahydro-1H-6,8-diaza-benzo[a]anthracen-9-one
SMILES: FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@@H]4CCCC[C@@H]4c3cc12
InChI Key: InChIKey=HMVSJZUUGDCVTI-UWVGGRQHSA-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)) | BDBM50077104 (CHEMBL431493 | Cis-(4aR,12bS)-11-Trifluoromethyl-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay | Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50077104 (CHEMBL431493 | Cis-(4aR,12bS)-11-Trifluoromethyl-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using cotransfection assay | Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50077104 (CHEMBL431493 | Cis-(4aR,12bS)-11-Trifluoromethyl-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using cotransfection assay | Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G | |||||||||||
More data for this Ligand-Target Pair |