BDBM50266422 CHEMBL4099681

SMILES: NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(F)c1F

InChI Key: InChIKey=CVCDOLQLYJGVGJ-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50266422   

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))	BDBM50266422 (CHEMBL4099681) Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(F)c1F Show InChI InChI=1S/C17H9F4NO5S2/c18-8-2-3-9(23)15(20)13(8)17(24)12-6-5-11(28-12)7-1-4-10(16(21)14(7)19)27-29(22,25)26/h1-6,23H,(H2,22,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1/E1 substrate and NADH after 10 mins by HPLC based radio-detection method				J Med Chem 60: 4086-4092 (2017) Article DOI: 10.1021/acs.jmedchem.7b00062 BindingDB Entry DOI: 10.7270/Q2J968VG
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human))	BDBM50266422 (CHEMBL4099681) Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(F)c1F Show InChI InChI=1S/C17H9F4NO5S2/c18-8-2-3-9(23)15(20)13(8)17(24)12-6-5-11(28-12)7-1-4-10(16(21)14(7)19)27-29(22,25)26/h1-6,23H,(H2,22,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placental cytosolic 17beta-HSD2 using [3H]-E2/E2 substrate and NAD+ after 20 mins by HPLC based radio-detection method				J Med Chem 60: 4086-4092 (2017) Article DOI: 10.1021/acs.jmedchem.7b00062 BindingDB Entry DOI: 10.7270/Q2J968VG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50266422 (CHEMBL4099681) Show SMILES NS(=O)(=O)Oc1ccc(-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)c(F)c1F Show InChI InChI=1S/C17H9F4NO5S2/c18-8-2-3-9(23)15(20)13(8)17(24)12-6-5-11(28-12)7-1-4-10(16(21)14(7)19)27-29(22,25)26/h1-6,23H,(H2,22,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placental microsomal STS assessed as formation of E1 preincubated for 30 mins followed by addition of E1S as substrate measured a...				J Med Chem 60: 4086-4092 (2017) Article DOI: 10.1021/acs.jmedchem.7b00062 BindingDB Entry DOI: 10.7270/Q2J968VG
					More data for this Ligand-Target Pair