BDBM50428551 CHEMBL2337513
SMILES: CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1
InChI Key: InChIKey=ZZRUBPUOTYXWMT-BUXKBTBVSA-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)) | BDBM50428551 (CHEMBL2337513) | 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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd Curated by ChEMBL | Assay Description Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells | Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50428551 (CHEMBL2337513) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd Curated by ChEMBL | Assay Description Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc... | Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50428551 (CHEMBL2337513) | 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 | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd Curated by ChEMBL | Assay Description Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz... | Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS | |||||||||||
More data for this Ligand-Target Pair |