Found 7 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 |
Squalene--hopene cyclase
(Alicyclobacillus acidocaldarius) | BDBM50128052
(Allyl-{6-[4-(6-bromo-benzo[d]isothiazol-3-yl)-phen...)Show SMILES CN(CCCCCCOc1ccc(cc1)-c1nsc2cc(Br)ccc12)CC=C Show InChI InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-11-8-18(9-12-20)23-21-13-10-19(24)17-22(21)28-25-23/h3,8-13,17H,1,4-7,14-16H2,2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 141 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität
Curated by ChEMBL
| Assay Description Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius |
J Med Chem 46: 2083-92 (2003)
Article DOI: 10.1021/jm0211218 BindingDB Entry DOI: 10.7270/Q2VM4BM9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Lanosterol synthase ERG7
(Saccharomyces cerevisiae) | BDBM50128052
(Allyl-{6-[4-(6-bromo-benzo[d]isothiazol-3-yl)-phen...)Show SMILES CN(CCCCCCOc1ccc(cc1)-c1nsc2cc(Br)ccc12)CC=C Show InChI InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-11-8-18(9-12-20)23-21-13-10-19(24)17-22(21)28-25-23/h3,8-13,17H,1,4-7,14-16H2,2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 280 | 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 | |
Lanosterol synthase
(Homo sapiens (Human)) | BDBM50128052
(Allyl-{6-[4-(6-bromo-benzo[d]isothiazol-3-yl)-phen...)Show SMILES CN(CCCCCCOc1ccc(cc1)-c1nsc2cc(Br)ccc12)CC=C Show InChI InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-11-8-18(9-12-20)23-21-13-10-19(24)17-22(21)28-25-23/h3,8-13,17H,1,4-7,14-16H2,2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Albert-Ludwigs-Universität
Curated by ChEMBL
| Assay Description Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes |
J Med Chem 46: 2083-92 (2003)
Article DOI: 10.1021/jm0211218 BindingDB Entry DOI: 10.7270/Q2VM4BM9 |
More data for this Ligand-Target Pair | |
Lanosterol synthase
(Homo sapiens (Human)) | BDBM50128052
(Allyl-{6-[4-(6-bromo-benzo[d]isothiazol-3-yl)-phen...)Show SMILES CN(CCCCCCOc1ccc(cc1)-c1nsc2cc(Br)ccc12)CC=C Show InChI InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-11-8-18(9-12-20)23-21-13-10-19(24)17-22(21)28-25-23/h3,8-13,17H,1,4-7,14-16H2,2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Torino
Curated by ChEMBL
| Assay Description Inhibition of oxidosqualene cyclase |
J Med Chem 50: 5039-42 (2007)
Article DOI: 10.1021/jm0704651 BindingDB Entry DOI: 10.7270/Q2ZP47FF |
More data for this Ligand-Target Pair | |
Lanosterol synthase
(Homo sapiens (Human)) | BDBM50128052
(Allyl-{6-[4-(6-bromo-benzo[d]isothiazol-3-yl)-phen...)Show SMILES CN(CCCCCCOc1ccc(cc1)-c1nsc2cc(Br)ccc12)CC=C Show InChI InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-11-8-18(9-12-20)23-21-13-10-19(24)17-22(21)28-25-23/h3,8-13,17H,1,4-7,14-16H2,2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CASMedChem Laboratory
Curated by ChEMBL
| Assay Description Inhibition of oxidosqualene cyclase |
Eur J Med Chem 43: 1462-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.09.019 BindingDB Entry DOI: 10.7270/Q2CR5VKG |
More data for this Ligand-Target Pair | |
Cycloartenol synthase
(Arabidopsis thaliana) | BDBM50128052
(Allyl-{6-[4-(6-bromo-benzo[d]isothiazol-3-yl)-phen...)Show SMILES CN(CCCCCCOc1ccc(cc1)-c1nsc2cc(Br)ccc12)CC=C Show InChI InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-11-8-18(9-12-20)23-21-13-10-19(24)17-22(21)28-25-23/h3,8-13,17H,1,4-7,14-16H2,2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+4 | 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)) | BDBM50128052
(Allyl-{6-[4-(6-bromo-benzo[d]isothiazol-3-yl)-phen...)Show SMILES CN(CCCCCCOc1ccc(cc1)-c1nsc2cc(Br)ccc12)CC=C Show InChI InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-11-8-18(9-12-20)23-21-13-10-19(24)17-22(21)28-25-23/h3,8-13,17H,1,4-7,14-16H2,2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.03E+4 | 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 | |