BDBM50011480 CHEMBL3261881

SMILES: CC(C)=CCC\C(C)=C\COCCNC1C2CC3CC(C2)CC1C3

InChI Key: InChIKey=FVZPGVBNMYKFPJ-REZTVBANSA-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 = 50011480   

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))	BDBM50011480 (CHEMBL3261881) Show SMILES CC(C)=CCC\C(C)=C\COCCNC1C2CC3CC(C2)CC1C3 |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(14.35,-9.79,;12.97,-9.1,;12.88,-7.56,;11.69,-9.95,;10.31,-9.26,;9.02,-10.11,;7.65,-9.42,;7.55,-7.88,;6.36,-10.27,;4.98,-9.58,;3.7,-10.43,;2.32,-9.74,;1.04,-10.59,;-.36,-9.9,;-1.64,-10.75,;-1.65,-12.28,;-3.06,-12.62,;-4.36,-12.13,;-5.56,-13.41,;-4.07,-12.99,;-2.67,-13.55,;-4.08,-11.41,;-3.04,-10.17,;-4.37,-10.65,)| Show InChI InChI=1S/C22H37NO/c1-16(2)5-4-6-17(3)7-9-24-10-8-23-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-23H,4,6,8-15H2,1-3H3/b17-7+	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	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human SQS				J Med Chem 57: 3126-39 (2014) Article DOI: 10.1021/jm500131s BindingDB Entry DOI: 10.7270/Q27P90ZN
					More data for this Ligand-Target Pair
Dehydrosqualene synthase (Staphylococcus aureus)	BDBM50011480 (CHEMBL3261881) Show SMILES CC(C)=CCC\C(C)=C\COCCNC1C2CC3CC(C2)CC1C3 |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(14.35,-9.79,;12.97,-9.1,;12.88,-7.56,;11.69,-9.95,;10.31,-9.26,;9.02,-10.11,;7.65,-9.42,;7.55,-7.88,;6.36,-10.27,;4.98,-9.58,;3.7,-10.43,;2.32,-9.74,;1.04,-10.59,;-.36,-9.9,;-1.64,-10.75,;-1.65,-12.28,;-3.06,-12.62,;-4.36,-12.13,;-5.56,-13.41,;-4.07,-12.99,;-2.67,-13.55,;-4.08,-11.41,;-3.04,-10.17,;-4.37,-10.65,)| Show InChI InChI=1S/C22H37NO/c1-16(2)5-4-6-17(3)7-9-24-10-8-23-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-23H,4,6,8-15H2,1-3H3/b17-7+	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus CrtM				J Med Chem 57: 3126-39 (2014) Article DOI: 10.1021/jm500131s BindingDB Entry DOI: 10.7270/Q27P90ZN
					More data for this Ligand-Target Pair