Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 490.6 BDBM50255601

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cycloartenol synthase (Arabidopsis thaliana)	BDBM50255601 (CHEMBL481209 | N-(4-(5-(diethylamino)-5-methylhexy...) Show SMILES CCN(CC)C(C)(C)CCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:15.18,wD:12.11,(4.85,-12.48,;3.51,-13.24,;3.51,-14.78,;2.18,-15.55,;.85,-14.78,;4.85,-15.55,;4.07,-16.87,;5.61,-16.87,;6.17,-14.78,;7.5,-15.55,;8.84,-14.78,;10.17,-15.55,;11.5,-14.78,;12.84,-15.55,;14.17,-14.78,;14.17,-13.23,;12.83,-12.47,;11.5,-13.24,;15.49,-12.47,;15.49,-10.93,;16.82,-13.23,;18.15,-14.01,;16.06,-14.57,;17.59,-11.9,;16.81,-10.57,;17.57,-9.22,;19.12,-9.22,;19.89,-10.55,;19.12,-11.89,;19.89,-7.89,;20.65,-6.57,;21.22,-8.66,;18.56,-7.13,)| Show InChI InChI=1S/C25H41F3N2O2S/c1-6-30(7-2)24(3,4)19-9-8-10-20-11-15-22(16-12-20)29(5)33(31,32)23-17-13-21(14-18-23)25(26,27)28/h13-14,17-18,20,22H,6-12,15-16,19H2,1-5H3/t20-,22-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8				Bioorg Med Chem Lett 19: 718-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.040 BindingDB Entry DOI: 10.7270/Q2SF2W2N
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50255601 (CHEMBL481209 | N-(4-(5-(diethylamino)-5-methylhexy...) Show SMILES CCN(CC)C(C)(C)CCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:15.18,wD:12.11,(4.85,-12.48,;3.51,-13.24,;3.51,-14.78,;2.18,-15.55,;.85,-14.78,;4.85,-15.55,;4.07,-16.87,;5.61,-16.87,;6.17,-14.78,;7.5,-15.55,;8.84,-14.78,;10.17,-15.55,;11.5,-14.78,;12.84,-15.55,;14.17,-14.78,;14.17,-13.23,;12.83,-12.47,;11.5,-13.24,;15.49,-12.47,;15.49,-10.93,;16.82,-13.23,;18.15,-14.01,;16.06,-14.57,;17.59,-11.9,;16.81,-10.57,;17.57,-9.22,;19.12,-9.22,;19.89,-10.55,;19.12,-11.89,;19.89,-7.89,;20.65,-6.57,;21.22,-8.66,;18.56,-7.13,)| Show InChI InChI=1S/C25H41F3N2O2S/c1-6-30(7-2)24(3,4)19-9-8-10-20-11-15-22(16-12-20)29(5)33(31,32)23-17-13-21(14-18-23)25(26,27)28/h13-14,17-18,20,22H,6-12,15-16,19H2,1-5H3/t20-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8				Bioorg Med Chem Lett 19: 718-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.040 BindingDB Entry DOI: 10.7270/Q2SF2W2N
					More data for this Ligand-Target Pair
Lanosterol synthase ERG7 (Saccharomyces cerevisiae)	BDBM50255601 (CHEMBL481209 | N-(4-(5-(diethylamino)-5-methylhexy...) Show SMILES CCN(CC)C(C)(C)CCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:15.18,wD:12.11,(4.85,-12.48,;3.51,-13.24,;3.51,-14.78,;2.18,-15.55,;.85,-14.78,;4.85,-15.55,;4.07,-16.87,;5.61,-16.87,;6.17,-14.78,;7.5,-15.55,;8.84,-14.78,;10.17,-15.55,;11.5,-14.78,;12.84,-15.55,;14.17,-14.78,;14.17,-13.23,;12.83,-12.47,;11.5,-13.24,;15.49,-12.47,;15.49,-10.93,;16.82,-13.23,;18.15,-14.01,;16.06,-14.57,;17.59,-11.9,;16.81,-10.57,;17.57,-9.22,;19.12,-9.22,;19.89,-10.55,;19.12,-11.89,;19.89,-7.89,;20.65,-6.57,;21.22,-8.66,;18.56,-7.13,)| Show InChI InChI=1S/C25H41F3N2O2S/c1-6-30(7-2)24(3,4)19-9-8-10-20-11-15-22(16-12-20)29(5)33(31,32)23-17-13-21(14-18-23)25(26,27)28/h13-14,17-18,20,22H,6-12,15-16,19H2,1-5H3/t20-,22-	Reactome pathway KEGG UniProtKB/SwissProt 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
Università di Torino Curated by ChEMBL					Assay Description Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8				Bioorg Med Chem Lett 19: 718-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.040 BindingDB Entry DOI: 10.7270/Q2SF2W2N
					More data for this Ligand-Target Pair