BDBM50111764 CHEMBL3605212

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)C(=O)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=DCGUXOHYIQPRAE-ONKPUIKUSA-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 = 50111764   

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)	BDBM50111764 (CHEMBL3605212) 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)C(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C22H35N5O9/c23-10-14-18(31)19(32)21(35-14)36-15(11-24-5-2-7-26-6-1-3-17(26)30)13-9-12(28)20(34-13)27-8-4-16(29)25-22(27)33/h4,8,12-15,18-21,24,28,31-32H,1-3,5-7,9-11,23H2,(H,25,29,33)/t12-,13+,14-,15+,18-,19-,20-,21+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	88	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