BDBM50515434 CHEMBL4518587
SMILES: Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1F
InChI Key: InChIKey=CHVVDDGGNOHSOG-UHFFFAOYSA-N
Data: 6 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 1 (Homo sapiens (Human)) | BDBM50515434 (CHEMBL4518587) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 46 | 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: 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)) | BDBM50515434 (CHEMBL4518587) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 48 | 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 MDA-MB-231 cells using [3H]-E2 as substrate after 6 hrs 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)) | BDBM50515434 (CHEMBL4518587) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6.10 | 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 (Mus musculus) | BDBM50515434 (CHEMBL4518587) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 22 | 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 | |||||||||||||
Estradiol 17-beta-dehydrogenase 1 (Rattus norvegicus) | BDBM50515434 (CHEMBL4518587) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
ElexoPharm GmbH Curated by ChEMBL | Assay Description Inhibition of recombinant rat 17beta-HSD1 expressed in HEK293 cells using [3H]-E1 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 (Rattus norvegicus) | BDBM50515434 (CHEMBL4518587) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
ElexoPharm GmbH Curated by ChEMBL | Assay Description Inhibition of rat 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 |