BDBM50270321 3-[1'-{4'-(Benzyloxy)-phenyl}]-quinuclidine-2-ene::CHEMBL453439

SMILES: C(Oc1ccc(cc1)C1=CN2CCC1CC2)c1ccccc1

InChI Key: InChIKey=OKNMXSHKBLYYKN-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 = 50270321   

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)	BDBM50270321 (3-[1'-{4'-(Benzyloxy)-phenyl}]-quinuclidine-2-ene ...) Show SMILES C(Oc1ccc(cc1)C1=CN2CCC1CC2)c1ccccc1 |t:9,(-1.9,-8.72,;-3.23,-7.95,;-4.56,-8.72,;-4.56,-10.26,;-5.9,-11.03,;-7.23,-10.25,;-7.23,-8.72,;-5.9,-7.95,;-8.56,-11.02,;-8.56,-12.57,;-9.9,-13.34,;-11.24,-12.57,;-11.24,-11.02,;-9.9,-10.24,;-10.64,-11.6,;-9.15,-12.01,;-.56,-7.95,;.76,-8.72,;2.1,-7.95,;2.1,-6.41,;.75,-5.64,;-.57,-6.42,)| Show InChI InChI=1S/C20H21NO/c1-2-4-16(5-3-1)15-22-19-8-6-17(7-9-19)20-14-21-12-10-18(20)11-13-21/h1-9,14,18H,10-13,15H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	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))	BDBM50270321 (3-[1'-{4'-(Benzyloxy)-phenyl}]-quinuclidine-2-ene ...) Show SMILES C(Oc1ccc(cc1)C1=CN2CCC1CC2)c1ccccc1 |t:9,(-1.9,-8.72,;-3.23,-7.95,;-4.56,-8.72,;-4.56,-10.26,;-5.9,-11.03,;-7.23,-10.25,;-7.23,-8.72,;-5.9,-7.95,;-8.56,-11.02,;-8.56,-12.57,;-9.9,-13.34,;-11.24,-12.57,;-11.24,-11.02,;-9.9,-10.24,;-10.64,-11.6,;-9.15,-12.01,;-.56,-7.95,;.76,-8.72,;2.1,-7.95,;2.1,-6.41,;.75,-5.64,;-.57,-6.42,)| Show InChI InChI=1S/C20H21NO/c1-2-4-16(5-3-1)15-22-19-8-6-17(7-9-19)20-14-21-12-10-18(20)11-13-21/h1-9,14,18H,10-13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	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