BDBM50190011 (4R,5R)-5-((S)-hydroxy(5-(pyridin-3-yl)thiophen-2-yl)methyl)-1-methyl-4-phenylpyrrolidin-2-one::CHEMBL212754
SMILES: CN1[C@@H]([C@H](O)c2ccc(s2)-c2cccnc2)[C@H](CC1=O)c1ccccc1
InChI Key: InChIKey=GGJVIKJRBHCNKM-MAODMQOUSA-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)) | BDBM50190011 ((4R,5R)-5-((S)-hydroxy(5-(pyridin-3-yl)thiophen-2-...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 90 | 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 | |||||||||||||
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human)) | BDBM50190011 ((4R,5R)-5-((S)-hydroxy(5-(pyridin-3-yl)thiophen-2-...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 50 | 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)) | BDBM50190011 ((4R,5R)-5-((S)-hydroxy(5-(pyridin-3-yl)thiophen-2-...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 300 | 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 |