BDBM50039315 (1S,9aR,11aS)-5,9a,11a-Trimethyl-1-(3-methyl-butyryl)-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-cyclopenta[i]phenanthridin-7-one::CHEMBL80160

SMILES: CC(C)CC(=O)[C@H]1CCC2C3CN(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C

InChI Key: InChIKey=ZJWSEMRSCBPWPD-DCRVZYSOSA-N

Data: 1 KI  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 2 hits for monomerid = 50039315   

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))	BDBM50039315 ((1S,9aR,11aS)-5,9a,11a-Trimethyl-1-(3-methyl-butyr...) Show SMILES CC(C)CC(=O)[C@H]1CCC2C3CN(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C |t:14| Show InChI InChI=1S/C24H37NO2/c1-15(2)12-21(27)20-7-6-18-17-14-25(5)22-13-16(26)8-10-24(22,4)19(17)9-11-23(18,20)3/h13,15,17-20H,6-12,14H2,1-5H3/t17?,18?,19?,20-,23+,24-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	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
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50039315 ((1S,9aR,11aS)-5,9a,11a-Trimethyl-1-(3-methyl-butyr...) Show SMILES CC(C)CC(=O)[C@H]1CCC2C3CN(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C |t:14| Show InChI InChI=1S/C24H37NO2/c1-15(2)12-21(27)20-7-6-18-17-14-25(5)22-13-16(26)8-10-24(22,4)19(17)9-11-23(18,20)3/h13,15,17-20H,6-12,14H2,1-5H3/t17?,18?,19?,20-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.100	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 2 5-alpha reductase				J Med Chem 37: 2352-60 (1994) BindingDB Entry DOI: 10.7270/Q228088W
					More data for this Ligand-Target Pair