Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 351.6 BDBM50003032

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

Found 4 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
Delta(14)-sterol reductase (Zea mays)	BDBM50003032 ((4aS,5S,6S,8aS)-2-Dodecyl-5,8a-dimethyl-decahydro-...) Show SMILES CCCCCCCCCCCCN1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 Show InChI InChI=1S/C23H45NO/c1-4-5-6-7-8-9-10-11-12-13-17-24-18-15-21-20(2)22(25)14-16-23(21,3)19-24/h20-22,25H,4-19H2,1-3H3/t20-,21-,22-,23+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Botanique Curated by ChEMBL					Assay Description Inhibition of Zea mays (maize) microsomal delta 8,14-steroid 14-reductase using delta 8,14-cholestadienol as substrate after 90 min by GC analysis				Eur J Biochem 185: 605-14 (1989) Article DOI: 10.1111/j.1432-1033.1989.tb15156.x BindingDB Entry DOI: 10.7270/Q270849H
					More data for this Ligand-Target Pair
Cycloeucalenol cycloisomerase (Zea mays)	BDBM50003032 ((4aS,5S,6S,8aS)-2-Dodecyl-5,8a-dimethyl-decahydro-...) Show SMILES CCCCCCCCCCCCN1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 Show InChI InChI=1S/C23H45NO/c1-4-5-6-7-8-9-10-11-12-13-17-24-18-15-21-20(2)22(25)14-16-23(21,3)19-24/h20-22,25H,4-19H2,1-3H3/t20-,21-,22-,23+/m0/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Botanique Curated by ChEMBL					Assay Description Inhibition of Zea mays (maize) cycloeucalenol-obtusifolial isomerase				Eur J Biochem 185: 605-14 (1989) Article DOI: 10.1111/j.1432-1033.1989.tb15156.x BindingDB Entry DOI: 10.7270/Q270849H
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50003032 ((4aS,5S,6S,8aS)-2-Dodecyl-5,8a-dimethyl-decahydro-...) Show SMILES CCCCCCCCCCCCN1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 Show InChI InChI=1S/C23H45NO/c1-4-5-6-7-8-9-10-11-12-13-17-24-18-15-21-20(2)22(25)14-16-23(21,3)19-24/h20-22,25H,4-19H2,1-3H3/t20-,21-,22-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Oxidosqualene-lanosterol cyclase enzyme obtained from rat liver				J Med Chem 35: 3581-3 (1992) BindingDB Entry DOI: 10.7270/Q24T6H9N
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50003032 ((4aS,5S,6S,8aS)-2-Dodecyl-5,8a-dimethyl-decahydro-...) Show SMILES CCCCCCCCCCCCN1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 Show InChI InChI=1S/C23H45NO/c1-4-5-6-7-8-9-10-11-12-13-17-24-18-15-21-20(2)22(25)14-16-23(21,3)19-24/h20-22,25H,4-19H2,1-3H3/t20-,21-,22-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against purified rat liver Oxidosqualene cyclase (OSC)				Bioorg Med Chem Lett 3: 1175-1178 (1993) Article DOI: 10.1016/S0960-894X(00)80309-1 BindingDB Entry DOI: 10.7270/Q2BK1C83
					More data for this Ligand-Target Pair