BDBM50269921 3-[1'-{2'-(4''-Ethyl ethanoatephenyl)-ethynyl]-3-quinuclidinol::CHEMBL478348

SMILES: CCOC(=O)Cc1ccc(cc1)C#CC1(O)CN2CCC1CC2

InChI Key: InChIKey=YWKVMGDEOUPQGN-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 = 50269921   

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
Farnesyltransferase, putative (Leishmania major)	BDBM50269921 (3-[1'-{2'-(4''-Ethyl ethanoatephenyl)-ethynyl]-3-q...) Show SMILES CCOC(=O)Cc1ccc(cc1)C#CC1(O)CN2CCC1CC2 |(5.4,-7.52,;4.08,-8.3,;2.74,-7.54,;1.41,-8.32,;1.42,-9.86,;.07,-7.57,;-1.26,-8.35,;-1.25,-9.89,;-2.57,-10.66,;-3.91,-9.9,;-3.93,-8.37,;-2.61,-7.59,;-5.24,-10.68,;-6.56,-11.46,;-7.89,-12.23,;-7.91,-10.69,;-7.89,-13.78,;-9.23,-14.55,;-10.57,-13.78,;-10.57,-12.23,;-9.23,-11.46,;-9.97,-12.82,;-8.48,-13.22,)| Show InChI InChI=1S/C19H23NO3/c1-2-23-18(21)13-16-5-3-15(4-6-16)7-10-19(22)14-20-11-8-17(19)9-12-20/h3-6,17,22H,2,8-9,11-14H2,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	970	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
Squalene synthetase (Homo sapiens (Human))	BDBM50269921 (3-[1'-{2'-(4''-Ethyl ethanoatephenyl)-ethynyl]-3-q...) Show SMILES CCOC(=O)Cc1ccc(cc1)C#CC1(O)CN2CCC1CC2 |(5.4,-7.52,;4.08,-8.3,;2.74,-7.54,;1.41,-8.32,;1.42,-9.86,;.07,-7.57,;-1.26,-8.35,;-1.25,-9.89,;-2.57,-10.66,;-3.91,-9.9,;-3.93,-8.37,;-2.61,-7.59,;-5.24,-10.68,;-6.56,-11.46,;-7.89,-12.23,;-7.91,-10.69,;-7.89,-13.78,;-9.23,-14.55,;-10.57,-13.78,;-10.57,-12.23,;-9.23,-11.46,;-9.97,-12.82,;-8.48,-13.22,)| Show InChI InChI=1S/C19H23NO3/c1-2-23-18(21)13-16-5-3-15(4-6-16)7-10-19(22)14-20-11-8-17(19)9-12-20/h3-6,17,22H,2,8-9,11-14H2,1H3	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	660	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