BDBM50157225 4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]quinoline-8-carboxylic acid 4-diethylcarbamoyl-phenyl ester::CHEMBL181196

SMILES: CCN(CC)C(=O)c1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1

InChI Key: InChIKey=NBWCLRVVIODTDE-UHFFFAOYSA-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 = 50157225   

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))	BDBM50157225 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CCN(CC)C(=O)c1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:24| Show InChI InChI=1S/C26H28N2O4/c1-4-27(5-2)25(30)18-6-10-21(11-7-18)32-26(31)20-9-13-23-19(16-20)8-12-22-17(3)24(29)14-15-28(22)23/h6-7,9-11,13,16H,4-5,8,12,14-15H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	463	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50157225 (4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...) Show SMILES CCN(CC)C(=O)c1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:24| Show InChI InChI=1S/C26H28N2O4/c1-4-27(5-2)25(30)18-6-10-21(11-7-18)32-26(31)20-9-13-23-19(16-20)8-12-22-17(3)24(29)14-15-28(22)23/h6-7,9-11,13,16H,4-5,8,12,14-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	372	n/a	n/a	n/a	n/a	n/a	n/a
Polo Scientifico Università di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells				Bioorg Med Chem Lett 15: 145-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.017 BindingDB Entry DOI: 10.7270/Q2ZK5G4N
					More data for this Ligand-Target Pair