BDBM50151137 2-Adamantan-1-yl-4-oxo-4H-thiochromene-6-carboxylic acid::CHEMBL186816
SMILES: OC(=O)c1ccc2sc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2
InChI Key: InChIKey=CYADWWGCOSPMFG-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Steryl-sulfatase (Homo sapiens (Human)) | BDBM50151137 (2-Adamantan-1-yl-4-oxo-4H-thiochromene-6-carboxyli...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University Curated by ChEMBL | Assay Description Reversible inhibition of recombinant human estrone sulfatase using 4-methylumbelliferyl sulfate as substrate by Hanes plot analysis | Eur J Med Chem 114: 170-90 (2016) BindingDB Entry DOI: 10.7270/Q26Q2048 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steryl-sulfatase (Homo sapiens (Human)) | BDBM50151137 (2-Adamantan-1-yl-4-oxo-4H-thiochromene-6-carboxyli...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research Vienna Curated by ChEMBL | Assay Description Inhibitory activity against human steroid sulfatase | J Med Chem 47: 4268-76 (2004) Article DOI: 10.1021/jm0407916 BindingDB Entry DOI: 10.7270/Q2XW4KK4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steryl-sulfatase (Homo sapiens (Human)) | BDBM50151137 (2-Adamantan-1-yl-4-oxo-4H-thiochromene-6-carboxyli...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research Vienna Curated by ChEMBL | Assay Description Inhibitory activity against human steroid sulfatase over-expressed in CHO cells | J Med Chem 47: 4268-76 (2004) Article DOI: 10.1021/jm0407916 BindingDB Entry DOI: 10.7270/Q2XW4KK4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steryl-sulfatase (Homo sapiens (Human)) | BDBM50151137 (2-Adamantan-1-yl-4-oxo-4H-thiochromene-6-carboxyli...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University Curated by ChEMBL | Assay Description Inhibition of recombinant human estrone sulfatase expressed in CHO cells using 4-methylumbelliferyl sulfate as substrate by fluorimetric assay | Eur J Med Chem 114: 170-90 (2016) BindingDB Entry DOI: 10.7270/Q26Q2048 | |||||||||||
More data for this Ligand-Target Pair |