Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 612.8 BDBM50108813

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))	BDBM50108813 (2-[9a,11a-dimethyl-1,2'-dioxospiro[perhydrocyclope...) Show SMILES C[C@]12CCC3C(CCC4C[C@@]5(CN(CC(CN6CCOCC6)OC(=O)CCC6CCCC6)C(=O)O5)CC[C@]34C)C1CCC2=O Show InChI InChI=1S/C36H56N2O6/c1-34-15-16-36(21-26(34)8-9-28-29-10-11-31(39)35(29,2)14-13-30(28)34)24-38(33(41)44-36)23-27(22-37-17-19-42-20-18-37)43-32(40)12-7-25-5-3-4-6-25/h25-30H,3-24H2,1-2H3/t26?,27?,28?,29?,30?,34-,35-,36+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire de Qu£bec and Universit£ Laval Curated by ChEMBL					Assay Description Concentration to inhibit 50% activity of the Type-3 17-beta- hydroxysteroid dehydrogenase				J Med Chem 45: 640-53 (2002) BindingDB Entry DOI: 10.7270/Q2K93881
					More data for this Ligand-Target Pair