BDBM50426589 CHEMBL2324373

SMILES: COc1cccc(c1)-c1ccc(s1)C(=O)N(C)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=PFARAXDDDXTNFL-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 = 50426589   

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 (Homo sapiens (Human))	BDBM50426589 (CHEMBL2324373) Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)N(C)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H16F3NO2S/c1-24(15-7-4-6-14(12-15)20(21,22)23)19(25)18-10-9-17(27-18)13-5-3-8-16(11-13)26-2/h3-12H,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	721	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis				J Med Chem 56: 167-81 (2013) Article DOI: 10.1021/jm3014053 BindingDB Entry DOI: 10.7270/Q2ZK5J0P
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) (Homo sapiens (Human))	BDBM50426589 (CHEMBL2324373) Show SMILES COc1cccc(c1)-c1ccc(s1)C(=O)N(C)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H16F3NO2S/c1-24(15-7-4-6-14(12-15)20(21,22)23)19(25)18-10-9-17(27-18)13-5-3-8-16(11-13)26-2/h3-12H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis				J Med Chem 56: 167-81 (2013) Article DOI: 10.1021/jm3014053 BindingDB Entry DOI: 10.7270/Q2ZK5J0P
					More data for this Ligand-Target Pair