BDBM50025399 CHEMBL1790293::Sodium; 4-(1,4a,6a-trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinolin-7-yl)-pentanoate

SMILES: [Na+].[H][C@@]12CC[C@H](C(C)CCC([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C

InChI Key: InChIKey=RXSYLSNVSLSWLF-VZXULOSCSA-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 = 50025399   

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
Steroid 5-alpha-reductase (Rattus norvegicus)	BDBM50025399 (CHEMBL1790293 | Sodium; 4-(1,4a,6a-trimethyl-2-oxo...) Show SMILES [Na+].[H][C@@]12CC[C@H](C(C)CCC([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C Show InChI InChI=1S/C24H39NO3.Na/c1-15(5-10-22(27)28)17-7-8-18-16-6-9-20-24(3,14-12-21(26)25(20)4)19(16)11-13-23(17,18)2;/h15-20H,5-14H2,1-4H3,(H,27,28);/q;+1/p-1/t15?,16-,17+,18-,19-,20?,23+,24+;/m0./s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60	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
Androgen receptor (Rattus norvegicus (Rat))	BDBM50025399 (CHEMBL1790293 | Sodium; 4-(1,4a,6a-trimethyl-2-oxo...) Show SMILES [Na+].[H][C@@]12CC[C@H](C(C)CCC([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C Show InChI InChI=1S/C24H39NO3.Na/c1-15(5-10-22(27)28)17-7-8-18-16-6-9-20-24(3,14-12-21(26)25(20)4)19(16)11-13-23(17,18)2;/h15-20H,5-14H2,1-4H3,(H,27,28);/q;+1/p-1/t15?,16-,17+,18-,19-,20?,23+,24+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+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