BDBM50323037 4-[(1S,2S,6R,7R)-9-(3-Methanesulfonyl-phenyl)-1,7-dimethyl-3,5-dioxo-11-oxa-4,9-diaza-tricyclo[5.3.1.0*2,6*]undec-4-yl]-2-trifluoromethyl-benzonitrile::CHEMBL1210151
SMILES: C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O
InChI Key: InChIKey=KMWXJWOZPVYLBJ-PSWAGMNNSA-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)) | BDBM50323037 (4-[(1S,2S,6R,7R)-9-(3-Methanesulfonyl-phenyl)-1,7-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells | Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen receptor (Homo sapiens (Human)) | BDBM50323037 (4-[(1S,2S,6R,7R)-9-(3-Methanesulfonyl-phenyl)-1,7-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay | Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen receptor (Homo sapiens (Human)) | BDBM50323037 (4-[(1S,2S,6R,7R)-9-(3-Methanesulfonyl-phenyl)-1,7-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Antagonist activity at wild type human AR expressed in human LNCAP cells by transactivation assay | Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH | |||||||||||
More data for this Ligand-Target Pair |