BDBM50426580 CHEMBL2324690
SMILES: COc1cccc(c1)N(C)C(=O)c1ccc(s1)-c1cccc(C)c1
InChI Key: InChIKey=BABRITZRSIMSNK-UHFFFAOYSA-N
Data: 7 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)) | BDBM50426580 (CHEMBL2324690) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University Curated by ChEMBL | Assay Description Inhibition of 17beta-HSD2 in human MDA-MB-231 cells using [3H]E2 as substrate after 6 hrs by HPLC analysis | J Med Chem 56: 167-81 (2013) Article DOI: 10.1021/jm3014053 BindingDB Entry DOI: 10.7270/Q2ZK5J0P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human)) | BDBM50426580 (CHEMBL2324690) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University Curated by ChEMBL | Assay Description Inhibition of human placental 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysi... | Eur J Med Chem 83: 317-37 (2014) Article DOI: 10.1016/j.ejmech.2014.06.036 BindingDB Entry DOI: 10.7270/Q2HQ41H5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) (Homo sapiens (Human)) | BDBM50426580 (CHEMBL2324690) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University Curated by ChEMBL | Assay Description Inhibition of human placental 17beta-HSD1 cytosolic fraction using tritiated estrone as substrate assessed as formation of estradiol by HPLC analysis | Eur J Med Chem 83: 317-37 (2014) Article DOI: 10.1016/j.ejmech.2014.06.036 BindingDB Entry DOI: 10.7270/Q2HQ41H5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human)) | BDBM50426580 (CHEMBL2324690) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University Curated by ChEMBL | Assay Description Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis | J Med Chem 56: 167-81 (2013) Article DOI: 10.1021/jm3014053 BindingDB Entry DOI: 10.7270/Q2ZK5J0P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) (Homo sapiens (Human)) | BDBM50426580 (CHEMBL2324690) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University Curated by ChEMBL | Assay Description Displacement of [3H]E1 from human placental cytosolic17beta-HSD1 after 10 mins by cell-free assay | Eur J Med Chem 87: 203-19 (2014) Article DOI: 10.1016/j.ejmech.2014.09.061 BindingDB Entry DOI: 10.7270/Q2F1919V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) (Homo sapiens (Human)) | BDBM50426580 (CHEMBL2324690) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University Curated by ChEMBL | Assay Description Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis | J Med Chem 56: 167-81 (2013) Article DOI: 10.1021/jm3014053 BindingDB Entry DOI: 10.7270/Q2ZK5J0P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human)) | BDBM50426580 (CHEMBL2324690) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University Curated by ChEMBL | Assay Description Displacement of [3H]E2 from human placental microsomal 17beta-HSD2 after 20 mins by cell-free assay | Eur J Med Chem 87: 203-19 (2014) Article DOI: 10.1016/j.ejmech.2014.09.061 BindingDB Entry DOI: 10.7270/Q2F1919V | |||||||||||
More data for this Ligand-Target Pair |