BDBM92330 Steroid, 10b

SMILES: CC(=O)[C@]1(CCC2C3CC[C@@]45O[C@@H]4C(=O)CC[C@]5(C)C3CC[C@]12C)OC(=O)c1ccc(Br)cc1

InChI Key: InChIKey=BOIZSPWBPGTACZ-UMTGVVQWSA-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 = 92330   

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))	BDBM92330 (Steroid, 10b) Show SMILES CC(=O)[C@]1(CCC2C3CC[C@@]45O[C@@H]4C(=O)CC[C@]5(C)C3CC[C@]12C)OC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C28H33BrO5/c1-16(30)27(34-24(32)17-4-6-18(29)7-5-17)15-10-21-19-8-14-28-23(33-28)22(31)11-13-26(28,3)20(19)9-12-25(21,27)2/h4-7,19-21,23H,8-15H2,1-3H3/t19?,20?,21?,23-,25+,26-,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	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