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 |
Lanosterol synthase
(Homo sapiens (Human)) | BDBM50255532
(CHEMBL481199 | N-(4-(5-(allyl(methyl)amino)pentyl)...)Show SMILES CN(CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F)CC=C |r,wU:10.13,wD:7.6,(1.8,-10.87,;1.88,-12.4,;3.25,-13.1,;4.53,-12.26,;5.9,-12.96,;7.19,-12.12,;8.57,-12.82,;9.86,-11.98,;11.23,-12.68,;12.52,-11.84,;12.43,-10.3,;11.06,-9.6,;9.78,-10.44,;13.72,-9.46,;13.63,-7.93,;15.09,-10.15,;16.46,-10.86,;14.39,-11.53,;15.78,-8.78,;15.03,-7.43,;15.82,-6.1,;17.37,-6.13,;18.11,-7.47,;17.31,-8.8,;18.16,-4.82,;18.94,-3.51,;19.47,-5.61,;16.85,-4.03,;.59,-13.24,;-.78,-12.54,;-2.06,-13.38,)| Show InChI InChI=1S/C23H35F3N2O2S/c1-4-17-27(2)18-7-5-6-8-19-9-13-21(14-10-19)28(3)31(29,30)22-15-11-20(12-16-22)23(24,25)26/h4,11-12,15-16,19,21H,1,5-10,13-14,17-18H2,2-3H3/t19-,21- | 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 | 100 | 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) | BDBM50255532
(CHEMBL481199 | N-(4-(5-(allyl(methyl)amino)pentyl)...)Show SMILES CN(CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F)CC=C |r,wU:10.13,wD:7.6,(1.8,-10.87,;1.88,-12.4,;3.25,-13.1,;4.53,-12.26,;5.9,-12.96,;7.19,-12.12,;8.57,-12.82,;9.86,-11.98,;11.23,-12.68,;12.52,-11.84,;12.43,-10.3,;11.06,-9.6,;9.78,-10.44,;13.72,-9.46,;13.63,-7.93,;15.09,-10.15,;16.46,-10.86,;14.39,-11.53,;15.78,-8.78,;15.03,-7.43,;15.82,-6.1,;17.37,-6.13,;18.11,-7.47,;17.31,-8.8,;18.16,-4.82,;18.94,-3.51,;19.47,-5.61,;16.85,-4.03,;.59,-13.24,;-.78,-12.54,;-2.06,-13.38,)| Show InChI InChI=1S/C23H35F3N2O2S/c1-4-17-27(2)18-7-5-6-8-19-9-13-21(14-10-19)28(3)31(29,30)22-15-11-20(12-16-22)23(24,25)26/h4,11-12,15-16,19,21H,1,5-10,13-14,17-18H2,2-3H3/t19-,21- | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 300 | 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 | |
Cycloartenol synthase
(Arabidopsis thaliana) | BDBM50255532
(CHEMBL481199 | N-(4-(5-(allyl(methyl)amino)pentyl)...)Show SMILES CN(CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F)CC=C |r,wU:10.13,wD:7.6,(1.8,-10.87,;1.88,-12.4,;3.25,-13.1,;4.53,-12.26,;5.9,-12.96,;7.19,-12.12,;8.57,-12.82,;9.86,-11.98,;11.23,-12.68,;12.52,-11.84,;12.43,-10.3,;11.06,-9.6,;9.78,-10.44,;13.72,-9.46,;13.63,-7.93,;15.09,-10.15,;16.46,-10.86,;14.39,-11.53,;15.78,-8.78,;15.03,-7.43,;15.82,-6.1,;17.37,-6.13,;18.11,-7.47,;17.31,-8.8,;18.16,-4.82,;18.94,-3.51,;19.47,-5.61,;16.85,-4.03,;.59,-13.24,;-.78,-12.54,;-2.06,-13.38,)| Show InChI InChI=1S/C23H35F3N2O2S/c1-4-17-27(2)18-7-5-6-8-19-9-13-21(14-10-19)28(3)31(29,30)22-15-11-20(12-16-22)23(24,25)26/h4,11-12,15-16,19,21H,1,5-10,13-14,17-18H2,2-3H3/t19-,21- | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 440 | 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 | |