BDBM50359006 CHEMBL1738936
SMILES: Cc1ccc(OCCn2c(SCCOc3ccccc3)nc3ccccc23)cc1
InChI Key: InChIKey=PNCBJXVNIRRHJP-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 |
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Androgen Receptor (Homo sapiens (Human)) | BDBM50359006![]() (CHEMBL1738936) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of British Columbia Curated by ChEMBL | Assay Description Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric ana... | J Med Chem 54: 8563-73 (2011) Article DOI: 10.1021/jm201098n BindingDB Entry DOI: 10.7270/Q2QC03X8 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50359006![]() (CHEMBL1738936) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of British Columbia Curated by ChEMBL | Assay Description Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB after 3 days by eGFP transcriptional assay | J Med Chem 56: 1136-48 (2013) Article DOI: 10.1021/jm3015712 BindingDB Entry DOI: 10.7270/Q2ZW1N7N | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50359006![]() (CHEMBL1738936) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of British Columbia Curated by ChEMBL | Assay Description Displacement of 5-iodoacetamidofluorescein labeled SRC23 peptide CKENALLRYLLDKDD human androgen receptor AF2 site expressed in Escherichia coli BL21 ... | J Med Chem 54: 8563-73 (2011) Article DOI: 10.1021/jm201098n BindingDB Entry DOI: 10.7270/Q2QC03X8 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50359006![]() (CHEMBL1738936) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of British Columbia Curated by ChEMBL | Assay Description Displacement of [3H]DHT from human androgen receptor expressed in Escherichia coli BL21 cells | J Med Chem 54: 8563-73 (2011) Article DOI: 10.1021/jm201098n BindingDB Entry DOI: 10.7270/Q2QC03X8 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |