BDBM50466002 CHEMBL4285743
SMILES: Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F
InChI Key: InChIKey=RKOXKEAQCMCSPB-UHFFFAOYSA-N
Data: 13 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 (Mus musculus) | BDBM50466002 (CHEMBL4285743) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
PharmBioTec GmbH Curated by ChEMBL | Assay Description Inhibition of mouse microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector based analysi... | J Med Chem 61: 10724-10738 (2018) Article DOI: 10.1021/acs.jmedchem.8b01373 BindingDB Entry DOI: 10.7270/Q2708448 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 1 (Homo sapiens (Human)) | BDBM50466002 (CHEMBL4285743) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
PharmBioTec GmbH Curated by ChEMBL | Assay Description Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys... | J Med Chem 61: 10724-10738 (2018) Article DOI: 10.1021/acs.jmedchem.8b01373 BindingDB Entry DOI: 10.7270/Q2708448 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human)) | BDBM50466002 (CHEMBL4285743) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
PharmBioTec GmbH Curated by ChEMBL | Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas... | J Med Chem 61: 10724-10738 (2018) Article DOI: 10.1021/acs.jmedchem.8b01373 BindingDB Entry DOI: 10.7270/Q2708448 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 2 (Mus musculus) | BDBM50466002 (CHEMBL4285743) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL | Assay Description Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis | Eur J Med Chem 178: 93-107 (2019) Article DOI: 10.1016/j.ejmech.2019.05.084 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human)) | BDBM50466002 (CHEMBL4285743) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL | Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis | Eur J Med Chem 178: 93-107 (2019) Article DOI: 10.1016/j.ejmech.2019.05.084 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 1 (Homo sapiens (Human)) | BDBM50466002 (CHEMBL4285743) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL | Assay Description Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis | Eur J Med Chem 178: 93-107 (2019) Article DOI: 10.1016/j.ejmech.2019.05.084 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 1 (Mus musculus) | BDBM50466002 (CHEMBL4285743) | UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ElexoPharm GmbH Curated by ChEMBL | Assay Description Inhibition of recombinant mouse 17beta-HSD1 expressed in HEK293 cells using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis | J Med Chem 62: 1362-1372 (2019) Article DOI: 10.1021/acs.jmedchem.8b01493 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human)) | BDBM50466002 (CHEMBL4285743) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
ElexoPharm GmbH Curated by ChEMBL | Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis | J Med Chem 62: 7289-7301 (2019) Article DOI: 10.1021/acs.jmedchem.9b00932 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human)) | BDBM50466002 (CHEMBL4285743) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
ElexoPharm GmbH Curated by ChEMBL | Assay Description Inhibition of 17beta-HSD2 in human using MDA-MB-231 cells using [3H]-E2 as substrate after 6 hrs by cell-based assay | J Med Chem 62: 1362-1372 (2019) Article DOI: 10.1021/acs.jmedchem.8b01493 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human)) | BDBM50466002 (CHEMBL4285743) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
ElexoPharm GmbH Curated by ChEMBL | Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis | J Med Chem 62: 1362-1372 (2019) Article DOI: 10.1021/acs.jmedchem.8b01493 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 1 (Homo sapiens (Human)) | BDBM50466002 (CHEMBL4285743) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
ElexoPharm GmbH Curated by ChEMBL | Assay Description Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis | J Med Chem 62: 1362-1372 (2019) Article DOI: 10.1021/acs.jmedchem.8b01493 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 2 (Mus musculus) | BDBM50466002 (CHEMBL4285743) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
ElexoPharm GmbH Curated by ChEMBL | Assay Description Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis | J Med Chem 62: 1362-1372 (2019) Article DOI: 10.1021/acs.jmedchem.8b01493 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 2 (Mus musculus) | BDBM50466002 (CHEMBL4285743) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
ElexoPharm GmbH Curated by ChEMBL | Assay Description Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis | J Med Chem 62: 7289-7301 (2019) Article DOI: 10.1021/acs.jmedchem.9b00932 | |||||||||||
More data for this Ligand-Target Pair |