BDBM50037916 (4aR,6aR,10R)-7-(1,5-Dimethyl-hexyl)-4a,6a,10-trimethyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-indeno[5,4-f]quinolin-2-one::CHEMBL338376

SMILES: CC(C)CCCC(C)C1CCC2C3[C@@H](C)C=C4NC(=O)CC[C@]4(C)C3CC[C@]12C

InChI Key: InChIKey=MOQPSDNFBMURQO-RSLLPWARSA-N

Data: 2 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 = 50037916   

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))	BDBM50037916 ((4aR,6aR,10R)-7-(1,5-Dimethyl-hexyl)-4a,6a,10-trim...) Show SMILES CC(C)CCCC(C)C1CCC2C3[C@@H](C)C=C4NC(=O)CC[C@]4(C)C3CC[C@]12C |t:15| Show InChI InChI=1S/C27H45NO/c1-17(2)8-7-9-18(3)20-10-11-21-25-19(4)16-23-27(6,15-13-24(29)28-23)22(25)12-14-26(20,21)5/h16-22,25H,7-15H2,1-6H3,(H,28,29)/t18?,19-,20?,21?,22?,25?,26+,27+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of type 1 steroid-5-alpha-reductase				J Med Chem 37: 3871-4 (1994) BindingDB Entry DOI: 10.7270/Q2K35V8R
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50037916 ((4aR,6aR,10R)-7-(1,5-Dimethyl-hexyl)-4a,6a,10-trim...) Show SMILES CC(C)CCCC(C)C1CCC2C3[C@@H](C)C=C4NC(=O)CC[C@]4(C)C3CC[C@]12C |t:15| Show InChI InChI=1S/C27H45NO/c1-17(2)8-7-9-18(3)20-10-11-21-25-19(4)16-23-27(6,15-13-24(29)28-23)22(25)12-14-26(20,21)5/h16-22,25H,7-15H2,1-6H3,(H,28,29)/t18?,19-,20?,21?,22?,25?,26+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	859	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of type 2 steroid-5-alpha-reductase				J Med Chem 37: 3871-4 (1994) BindingDB Entry DOI: 10.7270/Q2K35V8R
					More data for this Ligand-Target Pair