BDBM50208573 3-[1'-{4'-(Ethoxycarbonyl)-phenyl}]-quinuclidine-2-ene::CHEMBL259665::ethyl 4-(1-aza-bicyclo[2.2.2]oct-2-en-3-yl)benzoate

SMILES: CCOC(=O)c1ccc(cc1)C1=CN2CCC1CC2

InChI Key: InChIKey=NNXWGBRKIMLHHS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50208573   

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
Squalene synthetase (Homo sapiens (Human))	BDBM50208573 (3-[1'-{4'-(Ethoxycarbonyl)-phenyl}]-quinuclidine-2...) Show SMILES CCOC(=O)c1ccc(cc1)C1=CN2CCC1CC2 |t:12,(1.58,3.04,;.25,3.81,;-1.08,3.04,;-2.42,3.81,;-2.42,5.35,;-3.75,3.04,;-3.75,1.5,;-5.08,.73,;-6.41,1.5,;-6.42,3.04,;-5.09,3.81,;-7.75,.74,;-7.75,-.81,;-9.09,-1.58,;-10.42,-.81,;-10.42,.74,;-9.09,1.51,;-9.82,.15,;-8.34,-.25,)| Show InChI InChI=1S/C16H19NO2/c1-2-19-16(18)14-5-3-12(4-6-14)15-11-17-9-7-13(15)8-10-17/h3-6,11,13H,2,7-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21(DE3 pLysS) by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthetase (Homo sapiens (Human))	BDBM50208573 (3-[1'-{4'-(Ethoxycarbonyl)-phenyl}]-quinuclidine-2...) Show SMILES CCOC(=O)c1ccc(cc1)C1=CN2CCC1CC2 |t:12,(1.58,3.04,;.25,3.81,;-1.08,3.04,;-2.42,3.81,;-2.42,5.35,;-3.75,3.04,;-3.75,1.5,;-5.08,.73,;-6.41,1.5,;-6.42,3.04,;-5.09,3.81,;-7.75,.74,;-7.75,-.81,;-9.09,-1.58,;-10.42,-.81,;-10.42,.74,;-9.09,1.51,;-9.82,.15,;-8.34,-.25,)| Show InChI InChI=1S/C16H19NO2/c1-2-19-16(18)14-5-3-12(4-6-14)15-11-17-9-7-13(15)8-10-17/h3-6,11,13H,2,7-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Parasitolog£a y Biomedicina"L£pez-Neyra Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase				Antimicrob Agents Chemother 51: 2123-9 (2007) Article DOI: 10.1128/AAC.01454-06 BindingDB Entry DOI: 10.7270/Q2BC40DD
					More data for this Ligand-Target Pair
Farnesyltransferase, putative (Leishmania major)	BDBM50208573 (3-[1'-{4'-(Ethoxycarbonyl)-phenyl}]-quinuclidine-2...) Show SMILES CCOC(=O)c1ccc(cc1)C1=CN2CCC1CC2 |t:12,(1.58,3.04,;.25,3.81,;-1.08,3.04,;-2.42,3.81,;-2.42,5.35,;-3.75,3.04,;-3.75,1.5,;-5.08,.73,;-6.41,1.5,;-6.42,3.04,;-5.09,3.81,;-7.75,.74,;-7.75,-.81,;-9.09,-1.58,;-10.42,-.81,;-10.42,.74,;-9.09,1.51,;-9.82,.15,;-8.34,-.25,)| Show InChI InChI=1S/C16H19NO2/c1-2-19-16(18)14-5-3-12(4-6-14)15-11-17-9-7-13(15)8-10-17/h3-6,11,13H,2,7-10H2,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair