BDBM50380208 CHEMBL2011408
SMILES: C[C@]12CC[C@H]3[C@@H](CCc4c3ccc(OS(N)(=O)=O)c4[N+]([O-])=O)[C@@H]1CCC2=O
InChI Key: InChIKey=HVZDCAIKDVGWCI-QDTBLXIISA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Steryl-sulfatase (Homo sapiens (Human)) | BDBM50380208 (CHEMBL2011408) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry | Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steryl-sulfatase (Homo sapiens (Human)) | BDBM50380208 (CHEMBL2011408) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry | Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J | |||||||||||
More data for this Ligand-Target Pair |