BDBM50070051 (4aR,10bR)-4,10b-Dimethyl-8-((E)-styryl)-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one::CHEMBL300446

SMILES: CN1[C@@H]2CCc3cc(\C=C\c4ccccc4)ccc3[C@@]2(C)CCC1=O

InChI Key: InChIKey=YLMDSHIOZFJIOC-LZLPKMGPSA-N

Data: 4 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 4 hits for monomerid = 50070051   

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))	BDBM50070051 ((4aR,10bR)-4,10b-Dimethyl-8-((E)-styryl)-1,4,4a,5,...) Show SMILES CN1[C@@H]2CCc3cc(\C=C\c4ccccc4)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C23H25NO/c1-23-15-14-22(25)24(2)21(23)13-11-19-16-18(10-12-20(19)23)9-8-17-6-4-3-5-7-17/h3-10,12,16,21H,11,13-15H2,1-2H3/b9-8+/t21-,23-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	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 I 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
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50070051 ((4aR,10bR)-4,10b-Dimethyl-8-((E)-styryl)-1,4,4a,5,...) Show SMILES CN1[C@@H]2CCc3cc(\C=C\c4ccccc4)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C23H25NO/c1-23-15-14-22(25)24(2)21(23)13-11-19-16-18(10-12-20(19)23)9-8-17-6-4-3-5-7-17/h3-10,12,16,21H,11,13-15H2,1-2H3/b9-8+/t21-,23-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description In vitro inhibitory activity against Steroid 5-alpha-reductase type I				Bioorg Med Chem Lett 10: 1909-11 (2001) BindingDB Entry DOI: 10.7270/Q2M044PB
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50070051 ((4aR,10bR)-4,10b-Dimethyl-8-((E)-styryl)-1,4,4a,5,...) Show SMILES CN1[C@@H]2CCc3cc(\C=C\c4ccccc4)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C23H25NO/c1-23-15-14-22(25)24(2)21(23)13-11-19-16-18(10-12-20(19)23)9-8-17-6-4-3-5-7-17/h3-10,12,16,21H,11,13-15H2,1-2H3/b9-8+/t21-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description Compound was evaluated in vitro for its inhibitory activity against Steroid 5-alpha-reductase type 2				Bioorg Med Chem Lett 10: 1909-11 (2001) BindingDB Entry DOI: 10.7270/Q2M044PB
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50070051 ((4aR,10bR)-4,10b-Dimethyl-8-((E)-styryl)-1,4,4a,5,...) Show SMILES CN1[C@@H]2CCc3cc(\C=C\c4ccccc4)ccc3[C@@]2(C)CCC1=O Show InChI InChI=1S/C23H25NO/c1-23-15-14-22(25)24(2)21(23)13-11-19-16-18(10-12-20(19)23)9-8-17-6-4-3-5-7-17/h3-10,12,16,21H,11,13-15H2,1-2H3/b9-8+/t21-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	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