BDBM50070056 CHEMBL415016::N-tert-Butyl-2-((4aR,10bR)-4,10b-dimethyl-3-oxo-1,2,3,4,4a,5,6,10b-octahydro-benzo[f]quinolin-8-yl)-acetamide

SMILES: CN1[C@@H]2CCc3cc(CC(=O)NC(C)(C)C)ccc3[C@@]2(C)CCC1=O

InChI Key: InChIKey=BRVXXMIYHWOSRZ-DYESRHJHSA-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 = 50070056   

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))	BDBM50070056 (CHEMBL415016 | N-tert-Butyl-2-((4aR,10bR)-4,10b-di...) Show SMILES CN1[C@@H]2CCc3cc(CC(=O)NC(C)(C)C)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C21H30N2O2/c1-20(2,3)22-18(24)13-14-6-8-16-15(12-14)7-9-17-21(16,4)11-10-19(25)23(17)5/h6,8,12,17H,7,9-11,13H2,1-5H3,(H,22,24)/t17-,21-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase type 1 enzyme based on the conversion of [3H]-T to [3H]-DHT in nuclear membrane preparations fr...				Bioorg Med Chem Lett 8: 395-8 (1999) BindingDB Entry DOI: 10.7270/Q2CN732C
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50070056 (CHEMBL415016 | N-tert-Butyl-2-((4aR,10bR)-4,10b-di...) Show SMILES CN1[C@@H]2CCc3cc(CC(=O)NC(C)(C)C)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C21H30N2O2/c1-20(2,3)22-18(24)13-14-6-8-16-15(12-14)7-9-17-21(16,4)11-10-19(25)23(17)5/h6,8,12,17H,7,9-11,13H2,1-5H3,(H,22,24)/t17-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase type 2 as [3H]-T to [3H]-DHT conversion human prostate nuclear membrane				Bioorg Med Chem Lett 8: 395-8 (1999) BindingDB Entry DOI: 10.7270/Q2CN732C
					More data for this Ligand-Target Pair