BDBM50039321 (1S,9aR,11aS)-5,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid adamantan-1-ylamide::CHEMBL310711

SMILES: CN1CC2C3CC[C@H](C(=O)NC45CC6CC(CC(C6)C4)C5)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12

InChI Key: InChIKey=UEWWFTNEVGRLNC-IYGWWRMHSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50039321   

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))	BDBM50039321 ((1S,9aR,11aS)-5,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...) Show SMILES CN1CC2C3CC[C@H](C(=O)NC45CC6CC(CC(C6)C4)C5)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12 |t:37,TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:17:12:15.20.14,16:15:12:17.19.18| Show InChI InChI=1S/C30H44N2O2/c1-28-9-7-24-22(17-32(3)26-13-21(33)6-8-29(24,26)2)23(28)4-5-25(28)27(34)31-30-14-18-10-19(15-30)12-20(11-18)16-30/h13,18-20,22-25H,4-12,14-17H2,1-3H3,(H,31,34)/t18?,19?,20?,22?,23?,24?,25-,28+,29-,30?/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.5	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
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