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 |
Squalene--hopene cyclase
(Alicyclobacillus acidocaldarius) | BDBM50128047
((E)-N-allyl-4-(4-(6-bromobenzo[d]isothiazol-3-yl)p...)Show SMILES CN(CC=C)C\C=C\COc1ccc(cc1)-c1nsc2cc(Br)ccc12 Show InChI InChI=1S/C21H21BrN2OS/c1-3-12-24(2)13-4-5-14-25-18-9-6-16(7-10-18)21-19-11-8-17(22)15-20(19)26-23-21/h3-11,15H,1,12-14H2,2H3/b5-4+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 130 | 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 | |
Lanosterol synthase
(Homo sapiens (Human)) | BDBM50128047
((E)-N-allyl-4-(4-(6-bromobenzo[d]isothiazol-3-yl)p...)Show SMILES CN(CC=C)C\C=C\COc1ccc(cc1)-c1nsc2cc(Br)ccc12 Show InChI InChI=1S/C21H21BrN2OS/c1-3-12-24(2)13-4-5-14-25-18-9-6-16(7-10-18)21-19-11-8-17(22)15-20(19)26-23-21/h3-11,15H,1,12-14H2,2H3/b5-4+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.86E+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)) | BDBM50128047
((E)-N-allyl-4-(4-(6-bromobenzo[d]isothiazol-3-yl)p...)Show SMILES CN(CC=C)C\C=C\COc1ccc(cc1)-c1nsc2cc(Br)ccc12 Show InChI InChI=1S/C21H21BrN2OS/c1-3-12-24(2)13-4-5-14-25-18-9-6-16(7-10-18)21-19-11-8-17(22)15-20(19)26-23-21/h3-11,15H,1,12-14H2,2H3/b5-4+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.86E+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)) | BDBM50128047
((E)-N-allyl-4-(4-(6-bromobenzo[d]isothiazol-3-yl)p...)Show SMILES CN(CC=C)C\C=C\COc1ccc(cc1)-c1nsc2cc(Br)ccc12 Show InChI InChI=1S/C21H21BrN2OS/c1-3-12-24(2)13-4-5-14-25-18-9-6-16(7-10-18)21-19-11-8-17(22)15-20(19)26-23-21/h3-11,15H,1,12-14H2,2H3/b5-4+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.86E+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 | |