BDBM92328 Steroid, 9b

SMILES: CC(=O)[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)OC(=O)c1ccc(Br)cc1

InChI Key: InChIKey=MCLPHRIHXTXHGM-SVKPFUFZSA-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 = 92328   

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
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM92328 (Steroid, 9b) Show SMILES CC(=O)[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)OC(=O)c1ccc(Br)cc1 |t:10| Show InChI InChI=1S/C28H33BrO4/c1-17(30)28(33-25(32)18-4-7-20(29)8-5-18)15-12-24-22-9-6-19-16-21(31)10-13-26(19,2)23(22)11-14-27(24,28)3/h4-5,7-8,16,22-24H,6,9-15H2,1-3H3/t22?,23?,24?,26-,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	6.5	37
National University of Mexico City					Assay Description The IC50 values for the synthesized steroids with human prostate 5alpha-reductase enzyme.				J Enzyme Inhib Med Chem 24: 655-62 (2009) Article DOI: 10.1080/14756360802323720 BindingDB Entry DOI: 10.7270/Q2ZK5F9G
					More data for this Ligand-Target Pair