BDBM50039311 (1S,9aR,11aS)-9a,11a-Dimethyl-1-(naphthalene-1-carbonyl)-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-cyclopenta[i]phenanthridin-7-one::CHEMBL76637

SMILES: C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)c1cccc2ccccc12

InChI Key: InChIKey=HWWYEQLGVZUMOV-VQWWMEOXSA-N

Data: 1 KI

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 = 50039311   

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
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50039311 ((1S,9aR,11aS)-9a,11a-Dimethyl-1-(naphthalene-1-car...) Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)c1cccc2ccccc12 |t:7| Show InChI InChI=1S/C29H33NO2/c1-28-15-13-24-22(17-30-26-16-19(31)12-14-29(24,26)2)23(28)10-11-25(28)27(32)21-9-5-7-18-6-3-4-8-20(18)21/h3-9,22-25H,10-17H2,1-2H3/t22?,23?,24?,25-,28+,29-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 1 5-alpha reductase				J Med Chem 37: 2352-60 (1994) BindingDB Entry DOI: 10.7270/Q228088W
					More data for this Ligand-Target Pair