BDBM50515448 CHEMBL4459275

SMILES: Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3cccc(c3)C#N)c2)c1F

InChI Key: InChIKey=MOSDGHOILUMKDT-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 = 50515448   

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))	BDBM50515448 (CHEMBL4459275) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3cccc(c3)C#N)c2)c1F Show InChI InChI=1S/C24H13F3N2O4S2/c25-18-11-17(21(26)24(31)22(18)27)23(30)20-8-7-19(34-20)14-4-2-5-15(10-14)29-35(32,33)16-6-1-3-13(9-16)12-28/h1-11,29,31H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	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))	BDBM50515448 (CHEMBL4459275) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3cccc(c3)C#N)c2)c1F Show InChI InChI=1S/C24H13F3N2O4S2/c25-18-11-17(21(26)24(31)22(18)27)23(30)20-8-7-19(34-20)14-4-2-5-15(10-14)29-35(32,33)16-6-1-3-13(9-16)12-28/h1-11,29,31H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	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)	BDBM50515448 (CHEMBL4459275) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3cccc(c3)C#N)c2)c1F Show InChI InChI=1S/C24H13F3N2O4S2/c25-18-11-17(21(26)24(31)22(18)27)23(30)20-8-7-19(34-20)14-4-2-5-15(10-14)29-35(32,33)16-6-1-3-13(9-16)12-28/h1-11,29,31H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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