Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 567.6 BDBM50111763

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 (Rattus norvegicus)	BDBM50111763 (CHEMBL3605211) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@]3(CC[C@]12C)CN(CC(=O)O3)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C25H34N4O9/c1-12(2)13-3-5-14(6-4-13)22(34)27-11-18(38-24-21(33)20(32)17(10-26)37-24)16-9-15(30)23(36-16)29-8-7-19(31)28-25(29)35/h3-8,12,15-18,20-21,23-24,30,32-33H,9-11,26H2,1-2H3,(H,27,34)(H,28,31,35)/t15-,16+,17-,18+,20-,21-,23-,24+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
CHU de Qu£bec-Research Center (CHUL) Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in rat testes microsomes using [14C]-4-androstene-3,17-dione as substrate after 2 hrs				Bioorg Med Chem 23: 5433-51 (2015) Article DOI: 10.1016/j.bmc.2015.07.049 BindingDB Entry DOI: 10.7270/Q20C4XHT
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