BDBM50515433 CHEMBL4585585

SMILES: Cc1ccc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F

InChI Key: InChIKey=ZMAIOGWYXLOCJS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50515433   

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))	BDBM50515433 (CHEMBL4585585) Show SMILES Cc1ccc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C24H15F4NO4S2/c1-12-2-3-13(10-18(12)29-35(32,33)15-6-4-14(25)5-7-15)19-8-9-20(34-19)23(30)16-11-17(26)22(28)24(31)21(16)27/h2-11,29,31H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 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))	BDBM50515433 (CHEMBL4585585) Show SMILES Cc1ccc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc(s1)C(=O)c1cc(F)c(F)c(O)c1F Show InChI InChI=1S/C24H15F4NO4S2/c1-12-2-3-13(10-18(12)29-35(32,33)15-6-4-14(25)5-7-15)19-8-9-20(34-19)23(30)16-11-17(26)22(28)24(31)21(16)27/h2-11,29,31H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	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