BDBM50070046 (4aR,10bR)-4,10b-Dimethyl-8-((E)-2-quinolin-3-yl-vinyl)-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one::CHEMBL130845

SMILES: CN1[C@@H]2CCc3cc(\C=C\c4cnc5ccccc5c4)ccc3[C@@]2(C)CCC1=O

InChI Key: InChIKey=WWMGAPRXPIKGFI-PVKGSEOFSA-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 = 50070046   

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))	BDBM50070046 ((4aR,10bR)-4,10b-Dimethyl-8-((E)-2-quinolin-3-yl-v...) Show SMILES CN1[C@@H]2CCc3cc(\C=C\c4cnc5ccccc5c4)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C26H26N2O/c1-26-14-13-25(29)28(2)24(26)12-10-20-15-18(9-11-22(20)26)7-8-19-16-21-5-3-4-6-23(21)27-17-19/h3-9,11,15-17,24H,10,12-14H2,1-2H3/b8-7+/t24-,26-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	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))	BDBM50070046 ((4aR,10bR)-4,10b-Dimethyl-8-((E)-2-quinolin-3-yl-v...) Show SMILES CN1[C@@H]2CCc3cc(\C=C\c4cnc5ccccc5c4)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C26H26N2O/c1-26-14-13-25(29)28(2)24(26)12-10-20-15-18(9-11-22(20)26)7-8-19-16-21-5-3-4-6-23(21)27-17-19/h3-9,11,15-17,24H,10,12-14H2,1-2H3/b8-7+/t24-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	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