BDBM50134333 CHEMBL331089::Phenyl-acetic acid (1R,3R,5S)-8-(3,5-bis-trifluoromethyl-benzenesulfonylaminocarbonyl)-8-aza-bicyclo[3.2.1]oct-3-yl ester::Phenyl-acetic acid (1S,3R,5R)-8-(3,5-bis-trifluoromethyl-benzenesulfonylaminocarbonyl)-8-aza-bicyclo[3.2.1]oct-3-yl ester
SMILES: FC(F)(F)c1cc(cc(c1)S(=O)(=O)NC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1)C(F)(F)F
InChI Key: InChIKey=PPEKRJZEOBNGOP-BWTSREIZSA-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)) | BDBM50134333 (CHEMBL331089 | Phenyl-acetic acid (1R,3R,5S)-8-(3,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Research Institute Vienna Curated by ChEMBL | Assay Description Inhibitory activity against Steroid sulfatase expressed in CHO cells | Bioorg Med Chem Lett 13: 3673-7 (2003) BindingDB Entry DOI: 10.7270/Q27S7N5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steryl-sulfatase (Homo sapiens (Human)) | BDBM50134333 (CHEMBL331089 | Phenyl-acetic acid (1R,3R,5S)-8-(3,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibitory constant against human steroid sulfatase | Bioorg Med Chem Lett 15: 1235-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.069 BindingDB Entry DOI: 10.7270/Q2RF5THG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steryl-sulfatase (Homo sapiens (Human)) | BDBM50134333 (CHEMBL331089 | Phenyl-acetic acid (1R,3R,5S)-8-(3,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibitory concentration against human steroid sulfatase expressed in CHO cells | Bioorg Med Chem Lett 15: 1235-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.069 BindingDB Entry DOI: 10.7270/Q2RF5THG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steryl-sulfatase (Homo sapiens (Human)) | BDBM50134333 (CHEMBL331089 | Phenyl-acetic acid (1R,3R,5S)-8-(3,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Research Institute Vienna Curated by ChEMBL | Assay Description Inhibitory constant against purified human Steroid sulfatase | Bioorg Med Chem Lett 13: 3673-7 (2003) BindingDB Entry DOI: 10.7270/Q27S7N5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steryl-sulfatase (Homo sapiens (Human)) | BDBM50134333 (CHEMBL331089 | Phenyl-acetic acid (1R,3R,5S)-8-(3,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Research Institute Vienna Curated by ChEMBL | Assay Description Inhibitory activity against purified human Steroid sulfatase | Bioorg Med Chem Lett 13: 3673-7 (2003) BindingDB Entry DOI: 10.7270/Q27S7N5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steryl-sulfatase (Homo sapiens (Human)) | BDBM50134333 (CHEMBL331089 | Phenyl-acetic acid (1R,3R,5S)-8-(3,...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibitory concentration against human steroid sulfatase | Bioorg Med Chem Lett 15: 1235-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.069 BindingDB Entry DOI: 10.7270/Q2RF5THG | |||||||||||
More data for this Ligand-Target Pair |