BDBM50190004 (4R,5R)-4-(2-fluorophenyl)-5-((S)-(5-(4-fluorophenyl)thiophen-2-yl)(hydroxy)methyl)-1-methylpyrrolidin-2-one::CHEMBL213311
SMILES: CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(F)cc2)[C@H](CC1=O)c1ccccc1F
InChI Key: InChIKey=KGHQISWDCXQGHL-NPFVIJTESA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human)) | BDBM50190004 ((4R,5R)-4-(2-fluorophenyl)-5-((S)-(5-(4-fluorophen...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center Curated by ChEMBL | Assay Description Inhibition of human recombinant 17beta-HSD2 | Bioorg Med Chem Lett 16: 4965-8 (2006) Article DOI: 10.1016/j.bmcl.2006.06.041 BindingDB Entry DOI: 10.7270/Q2GB24V1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human)) | BDBM50190004 ((4R,5R)-4-(2-fluorophenyl)-5-((S)-(5-(4-fluorophen...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center Curated by ChEMBL | Assay Description Inhibition of human recombinant 17beta-HSD2 | Bioorg Med Chem Lett 16: 4965-8 (2006) Article DOI: 10.1016/j.bmcl.2006.06.041 BindingDB Entry DOI: 10.7270/Q2GB24V1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human)) | BDBM50190004 ((4R,5R)-4-(2-fluorophenyl)-5-((S)-(5-(4-fluorophen...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center Curated by ChEMBL | Assay Description Inhibition of estradiol to estrone conversion in MG63 cells | Bioorg Med Chem Lett 16: 4965-8 (2006) Article DOI: 10.1016/j.bmcl.2006.06.041 BindingDB Entry DOI: 10.7270/Q2GB24V1 | |||||||||||
More data for this Ligand-Target Pair |