Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 626.8 BDBM50528379

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))	BDBM50528379 (CHEMBL4451648) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@](O)(CN3CC(C)N(CC3C)S(=O)(=O)c3ccccc3C(F)(F)F)CC[C@]12C |r| Show InChI InChI=1S/C33H49F3N2O4S/c1-21-19-38(43(41,42)28-8-6-5-7-27(28)33(34,35)36)22(2)18-37(21)20-32(40)16-15-30(3)23(17-32)9-10-24-25-11-12-29(39)31(25,4)14-13-26(24)30/h5-8,21-26,29,39-40H,9-20H2,1-4H3/t21?,22?,23-,24-,25-,26-,29-,30-,31-,32+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	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
					More data for this Ligand-Target Pair