BDBM50025454 1,4,4a,6a-Tetramethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinoline-7-carboxylic acid diethylamide::CHEMBL3349170::CHEMBL75671

SMILES: [H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C

InChI Key: InChIKey=CJNYDPBXKCGRGK-CQLCFCOQSA-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 = 50025454   

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)	BDBM50025454 (1,4,4a,6a-Tetramethyl-2-oxo-hexadecahydro-indeno[5...) Show SMILES [H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r| Show InChI InChI=1S/C25H42N2O2/c1-7-27(8-2)23(29)20-11-10-18-17-9-12-21-25(5,16(3)15-22(28)26(21)6)19(17)13-14-24(18,20)4/h16-21H,7-15H2,1-6H3/t16-,17?,18?,19?,20?,21+,24?,25?/m0/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.560	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))	BDBM50025454 (1,4,4a,6a-Tetramethyl-2-oxo-hexadecahydro-indeno[5...) Show SMILES [H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r| Show InChI InChI=1S/C25H42N2O2/c1-7-27(8-2)23(29)20-11-10-18-17-9-12-21-25(5,16(3)15-22(28)26(21)6)19(17)13-14-24(18,20)4/h16-21H,7-15H2,1-6H3/t16-,17?,18?,19?,20?,21+,24?,25?/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	680	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