BDBM50111763 CHEMBL3605211

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

InChI Key: InChIKey=HLYFGBYNCNDSLT-UNIOLKCESA-N

Data: 1 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 1 hit for monomerid = 50111763   

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
Testosterone 17-beta-dehydrogenase 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	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) BindingDB Entry DOI: 10.7270/Q20C4XHT
					More data for this Ligand-Target Pair