BDBM50025352 CHEMBL3349083::CHEMBL77882::Sodium; 2-(1,4a,6a-trimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1H-indeno[5,4-f]quinolin-7-yl)-propionate

SMILES: [Na+].[H][C@@]12CC[C@H](C(C)C([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2N(C)C(=O)CC[C@]12C

InChI Key: InChIKey=GQECVTUOELTXTC-UHFFFAOYSA-M

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 = 50025352   

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
Androgen receptor (Rattus norvegicus (Rat))	BDBM50025352 (CHEMBL3349083 | Sodium; 2-(1,4a,6a-trimethyl-2-oxo...) Show SMILES [Na+].[H][C@@]12CC[C@H](C(C)C([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2N(C)C(=O)CC[C@]12C |r,t:21| Show InChI InChI=1S/C22H33NO3/c1-13(20(25)26)15-6-7-16-14-5-8-18-22(3,12-10-19(24)23(18)4)17(14)9-11-21(15,16)2/h8,13-17H,5-7,9-12H2,1-4H3,(H,25,26)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro antagonist activity against rat prostatic androgen receptor (AR)				J Med Chem 29: 2298-315 (1986) BindingDB Entry DOI: 10.7270/Q2XG9RQR
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Rattus norvegicus)	BDBM50025352 (CHEMBL3349083 | Sodium; 2-(1,4a,6a-trimethyl-2-oxo...) Show SMILES [Na+].[H][C@@]12CC[C@H](C(C)C([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2N(C)C(=O)CC[C@]12C |r,t:21| Show InChI InChI=1S/C22H33NO3/c1-13(20(25)26)15-6-7-16-14-5-8-18-22(3,12-10-19(24)23(18)4)17(14)9-11-21(15,16)2/h8,13-17H,5-7,9-12H2,1-4H3,(H,25,26)/p-1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase				J Med Chem 29: 2298-315 (1986) BindingDB Entry DOI: 10.7270/Q2XG9RQR
					More data for this Ligand-Target Pair