BDBM50113783 (2R,4aS,10aR)-4a-benzyl-2-(chloroethynyl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2,7-diol::4a-Benzyl-2-chloroethynyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-2,7-diol(CP-394531)::CHEMBL77779::CP-394531
SMILES: Oc1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C#CCl)c1
InChI Key: InChIKey=CNOAOQSZNOTZLQ-OIBXWCBGSA-N
Data: 4 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50113783 ((2R,4aS,10aR)-4a-benzyl-2-(chloroethynyl)-1,2,3,4,...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor | J Med Chem 45: 2417-24 (2002) BindingDB Entry DOI: 10.7270/Q2HT2Q1F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50113783 ((2R,4aS,10aR)-4a-benzyl-2-(chloroethynyl)-1,2,3,4,...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College Curated by ChEMBL | Assay Description Displacement of [3H]DEX from human glucocorticoid receptor | J Med Chem 53: 3065-74 (2010) Article DOI: 10.1021/jm901452y BindingDB Entry DOI: 10.7270/Q2VQ33NH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50113783 ((2R,4aS,10aR)-4a-benzyl-2-(chloroethynyl)-1,2,3,4,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Displacement of [3H]DHT from human Androgen receptor | J Med Chem 45: 2417-24 (2002) BindingDB Entry DOI: 10.7270/Q2HT2Q1F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM50113783 ((2R,4aS,10aR)-4a-benzyl-2-(chloroethynyl)-1,2,3,4,...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Displacement of radioligand from human Progesterone receptor | J Med Chem 45: 2417-24 (2002) BindingDB Entry DOI: 10.7270/Q2HT2Q1F | |||||||||||
More data for this Ligand-Target Pair |