BDBM50141092 CHEMBL3753825

SMILES: [H][C@@]12CC=C3C=C(CC[C@]3(C)[C@@]1([H])CC[C@]1(C)N(C)C(=O)CC[C@@]21[H])c1nnn[nH]1

InChI Key: InChIKey=VSQWRSWTFXPDHE-OZMCLOMFSA-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 = 50141092   

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))	BDBM50141092 (CHEMBL3753825) Show SMILES [H][C@@]12CC=C3C=C(CC[C@]3(C)[C@@]1([H])CC[C@]1(C)N(C)C(=O)CC[C@@]21[H])c1nnn[nH]1 |r,c:5,t:3| Show InChI InChI=1S/C21H29N5O/c1-20-10-8-13(19-22-24-25-23-19)12-14(20)4-5-15-16(20)9-11-21(2)17(15)6-7-18(27)26(21)3/h4,12,15-17H,5-11H2,1-3H3,(H,22,23,24,25)/t15-,16+,17+,20+,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	274	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of human 5alpha-2 reductase expressed in HEK293 cells assessed as suppression of conversion of [3]androstenedione incubated for 30 mins by...				Bioorg Med Chem 24: 779-88 (2016) BindingDB Entry DOI: 10.7270/Q21G0P3C
					More data for this Ligand-Target Pair