Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 620.7 BDBM50528384

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50528384 (CHEMBL4551755) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(F)CN1CC(C)N(CC1C)S(=O)(=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C33H40F4N2O3S/c1-20-18-39(43(41,42)30-7-5-4-6-28(30)33(35,36)37)21(2)17-38(20)19-29(34)23-9-10-24-22(16-23)8-11-26-25(24)14-15-32(3)27(26)12-13-31(32)40/h4-7,9-10,16,20-21,25-27,29H,8,11-15,17-19H2,1-3H3/t20?,21?,25-,26-,27+,29?,32+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
CHU de Queb£c-Research Center Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 (unknown origin) expressed in human LNCAP cells assessed as reduction in [14C]-testosterone formation from [14C]-4-androste...				J Med Chem 62: 7070-7088 (2019) Article DOI: 10.1021/acs.jmedchem.9b00624 BindingDB Entry DOI: 10.7270/Q2B56P6P
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