Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'morand' and Initial = 'oh'   

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))	BDBM50130785 (CHEMBL542453 | CHEMBL609978 | {4-[6-(Allyl-methyl-...) Show SMILES CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(cc1)[N+]([O-])=O)CC=C Show InChI InChI=1S/C23H28N2O4/c1-3-16-24(2)17-6-4-5-7-18-29-22-14-10-20(11-15-22)23(26)19-8-12-21(13-9-19)25(27)28/h3,8-15H,1,4-7,16-18H2,2H3	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50128063 (Allyl-{6-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-...) Show SMILES CN(CCCCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C Show InChI InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-12-13-21-22(17-20)28-25-23(21)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.90	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))	BDBM50128063 (Allyl-{6-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-...) Show SMILES CN(CCCCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C Show InChI InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-12-13-21-22(17-20)28-25-23(21)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50128060 (CHEMBL63524 | N-allyl-4-(4-(4-bromobenzoyl)phenoxy...) Show SMILES CN(CC=C)C\C=C\COc1ccc(cc1)C(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H22BrNO2/c1-3-14-23(2)15-4-5-16-25-20-12-8-18(9-13-20)21(24)17-6-10-19(22)11-7-17/h3-13H,1,14-16H2,2H3/b5-4+	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	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))	BDBM50128054 (Allyl-{6-[1-(4-bromo-phenyl)-isoquinolin-6-yloxy]-...) Show SMILES CN(CCCCCCOc1ccc2c(nccc2c1)-c1ccc(Br)cc1)CC=C Show InChI InChI=1S/C25H29BrN2O/c1-3-16-28(2)17-6-4-5-7-18-29-23-12-13-24-21(19-23)14-15-27-25(24)20-8-10-22(26)11-9-20/h3,8-15,19H,1,4-7,16-18H2,2H3	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	3.5	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))	BDBM50128054 (Allyl-{6-[1-(4-bromo-phenyl)-isoquinolin-6-yloxy]-...) Show SMILES CN(CCCCCCOc1ccc2c(nccc2c1)-c1ccc(Br)cc1)CC=C Show InChI InChI=1S/C25H29BrN2O/c1-3-16-28(2)17-6-4-5-7-18-29-23-12-13-24-21(19-23)14-15-27-25(24)20-8-10-22(26)11-9-20/h3,8-15,19H,1,4-7,16-18H2,2H3	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50128055 (Allyl-{6-[4-(4-bromo-phenyl)-1H-benzo[d][1,2]oxazi...) Show SMILES CN(CCCCCCOc1ccc2C(=NOCc2c1)c1ccc(Br)cc1)CC=C |c:13| Show InChI InChI=1S/C24H29BrN2O2/c1-3-14-27(2)15-6-4-5-7-16-28-22-12-13-23-20(17-22)18-29-26-24(23)19-8-10-21(25)11-9-19/h3,8-13,17H,1,4-7,14-16,18H2,2H3	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	4.10	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))	BDBM50128055 (Allyl-{6-[4-(4-bromo-phenyl)-1H-benzo[d][1,2]oxazi...) Show SMILES CN(CCCCCCOc1ccc2C(=NOCc2c1)c1ccc(Br)cc1)CC=C |c:13| Show InChI InChI=1S/C24H29BrN2O2/c1-3-14-27(2)15-6-4-5-7-16-28-22-12-13-23-20(17-22)18-29-26-24(23)19-8-10-21(25)11-9-19/h3,8-13,17H,1,4-7,14-16,18H2,2H3	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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50130788 (CHEMBL116705 | CHEMBL611484 | {4-[6-(Allyl-methyl-...) Show SMILES CNc1cc(OCCCCCCN(C)CC=C)ccc1C(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C24H31BrN2O2/c1-4-15-27(3)16-7-5-6-8-17-29-21-13-14-22(23(18-21)26-2)24(28)19-9-11-20(25)12-10-19/h4,9-14,18,26H,1,5-8,15-17H2,2-3H3	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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50130783 (CHEMBL115020 | CHEMBL611485 | {4-[6-(Allyl-methyl-...) Show SMILES COc1cc(OCCCCCCN(C)CC=C)ccc1C(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C24H30BrNO3/c1-4-15-26(2)16-7-5-6-8-17-29-21-13-14-22(23(18-21)28-3)24(27)19-9-11-20(25)12-10-19/h4,9-14,18H,1,5-8,15-17H2,2-3H3	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	4.60	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50128050 (CHEMBL114259 | CHEMBL416694 | N-allyl-6-(4-(4-brom...) Show SMILES CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(Br)cc1)CC=C Show InChI InChI=1S/C23H28BrNO2/c1-3-16-25(2)17-6-4-5-7-18-27-22-14-10-20(11-15-22)23(26)19-8-12-21(24)13-9-19/h3,8-15H,1,4-7,16-18H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50128050 (CHEMBL114259 | CHEMBL416694 | N-allyl-6-(4-(4-brom...) Show SMILES CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(Br)cc1)CC=C Show InChI InChI=1S/C23H28BrNO2/c1-3-16-25(2)17-6-4-5-7-18-27-22-14-10-20(11-15-22)23(26)19-8-12-21(24)13-9-19/h3,8-15H,1,4-7,16-18H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.40	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))	BDBM50130789 (Allyl-{6-[3-(4-bromo-phenyl)-benzo[b]thiophen-6-yl...) Show SMILES CN(CCCCCCOc1ccc2c(csc2c1)-c1ccc(Br)cc1)CC=C Show InChI InChI=1S/C24H28BrNOS/c1-3-14-26(2)15-6-4-5-7-16-27-21-12-13-22-23(18-28-24(22)17-21)19-8-10-20(25)11-9-19/h3,8-13,17-18H,1,4-7,14-16H2,2H3	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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50130786 (CHEMBL115923 | CHEMBL611486 | {4-[6-(Allyl-methyl-...) Show SMILES CSc1cc(OCCCCCCN(C)CC=C)ccc1C(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C24H30BrNO2S/c1-4-15-26(2)16-7-5-6-8-17-28-21-13-14-22(23(18-21)29-3)24(27)19-9-11-20(25)12-10-19/h4,9-14,18H,1,5-8,15-17H2,2-3H3	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	6.20	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50130774 (CHEMBL115375 | CHEMBL611757 | {4-[6-(Allyl-methyl-...) Show SMILES CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(O)c1)CC=C Show InChI InChI=1S/C23H28BrNO3/c1-3-14-25(2)15-6-4-5-7-16-28-20-12-13-21(22(26)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17,26H,1,4-7,14-16H2,2H3	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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50128065 (CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...) Show SMILES CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)CC=C Show InChI InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	6.5	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				3D Structure (crystal)
Lanosterol synthase (Homo sapiens (Human))	BDBM50128065 (CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...) Show SMILES CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)CC=C Show InChI InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lanosterol synthase (Homo sapiens (Human))	BDBM50130775 (CHEMBL554209 | CHEMBL611758 | {4-[6-(Allyl-methyl-...) Show SMILES CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(F)cc1)CC=C Show InChI InChI=1S/C23H28FNO2/c1-3-16-25(2)17-6-4-5-7-18-27-22-14-10-20(11-15-22)23(26)19-8-12-21(24)13-9-19/h3,8-15H,1,4-7,16-18H2,2H3	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	6.70	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50130772 (Allyl-{6-[3-(4-bromo-phenyl)-1,1-dioxo-1H-1lambda*...) Show SMILES CN(CCCCCCOc1ccc2C(=NS(=O)(=O)c2c1)c1ccc(Br)cc1)CC=C |c:13| Show InChI InChI=1S/C23H27BrN2O3S/c1-3-14-26(2)15-6-4-5-7-16-29-20-12-13-21-22(17-20)30(27,28)25-23(21)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3	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	7.80	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50130784 (Allyl-{6-[1-(4-bromo-phenyl)-3,4-dihydro-isoquinol...) Show SMILES CN(CCCCCCOc1ccc2C(=NCCc2c1)c1ccc(Br)cc1)CC=C |c:13| Show InChI InChI=1S/C25H31BrN2O/c1-3-16-28(2)17-6-4-5-7-18-29-23-12-13-24-21(19-23)14-15-27-25(24)20-8-10-22(26)11-9-20/h3,8-13,19H,1,4-7,14-18H2,2H3	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	7.90	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50130787 (CHEMBL114266 | CHEMBL612025 | {6-[6-(Allyl-methyl-...) Show SMILES CN(CCCCCCOc1ccc(cn1)C(=O)c1ccc(Br)cc1)CC=C Show InChI InChI=1S/C22H27BrN2O2/c1-3-14-25(2)15-6-4-5-7-16-27-21-13-10-19(17-24-21)22(26)18-8-11-20(23)12-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3	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	8.70	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50128066 (CHEMBL66412 | METHYL-[4-(4-PIPERIDINE-1-YLMETHYL-P...) Show SMILES CN([C@H]1CC[C@@H](CC1)c1ccc(CN2CCCCC2)cc1)C(=O)Oc1ccc(Cl)cc1 |wU:2.1,wD:5.8,(5.42,2.82,;5.42,1.28,;4.09,.51,;4.09,-1.03,;2.75,-1.8,;1.42,-1.03,;1.43,.51,;2.76,1.28,;.08,-1.78,;.09,-3.32,;-1.24,-4.09,;-2.58,-3.31,;-3.91,-4.08,;-5.25,-3.3,;-6.58,-4.08,;-7.91,-3.3,;-7.9,-1.76,;-6.57,-1,;-5.24,-1.77,;-2.58,-1.77,;-1.24,-1.01,;6.75,.51,;6.75,-1.03,;8.1,1.28,;9.43,.51,;9.43,-1.03,;10.76,-1.8,;12.09,-1.03,;13.42,-1.8,;12.09,.51,;10.76,1.28,)| Show InChI InChI=1S/C26H33ClN2O2/c1-28(26(30)31-25-15-11-23(27)12-16-25)24-13-9-22(10-14-24)21-7-5-20(6-8-21)19-29-17-3-2-4-18-29/h5-8,11-12,15-16,22,24H,2-4,9-10,13-14,17-19H2,1H3/t22-,24-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	11.3	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))	BDBM50130776 (Allyl-{6-[4-(4-bromo-phenyl)-2H-chromen-7-yloxy]-h...) Show SMILES CN(CCCCCCOc1ccc2C(=CCOc2c1)c1ccc(Br)cc1)CC=C |c:13| Show InChI InChI=1S/C25H30BrNO2/c1-3-15-27(2)16-6-4-5-7-17-28-22-12-13-24-23(14-18-29-25(24)19-22)20-8-10-21(26)11-9-20/h3,8-14,19H,1,4-7,15-18H2,2H3	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	11.4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50130781 (Allyl-{6-[4-(4-bromo-phenyl)-quinazolin-7-yloxy]-h...) Show SMILES CN(CCCCCCOc1ccc2c(ncnc2c1)-c1ccc(Br)cc1)CC=C Show InChI InChI=1S/C24H28BrN3O/c1-3-14-28(2)15-6-4-5-7-16-29-21-12-13-22-23(17-21)26-18-27-24(22)19-8-10-20(25)11-9-19/h3,8-13,17-18H,1,4-7,14-16H2,2H3	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	12.3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50128064 ((E)-N-allyl-4-(3-(4-bromophenyl)benzo[b]thiophen-6...) Show SMILES CN(CC=C)C\C=C\COc1ccc2c(csc2c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C22H22BrNOS/c1-3-12-24(2)13-4-5-14-25-19-10-11-20-21(16-26-22(20)15-19)17-6-8-18(23)9-7-17/h3-11,15-16H,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	13.5	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))	BDBM50130777 ((4-Bromo-phenyl)-(4-{6-[(3-hydroxy-propyl)-methyl-...) Show SMILES CN(CCCO)CCCCCCOc1ccc(cc1)C(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C23H30BrNO3/c1-25(16-6-17-26)15-4-2-3-5-18-28-22-13-9-20(10-14-22)23(27)19-7-11-21(24)12-8-19/h7-14,26H,2-6,15-18H2,1H3	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	15.7	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50128070 ((4''-{[ALLYL(METHYL)AMINO]METHYL}-1,1''-BIPHENYL-4...) Show SMILES CN(CC=C)Cc1ccc(cc1)-c1ccc(cc1)C(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C24H22BrNO/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22/h3-15H,1,16-17H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	16	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
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50128062 ((4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMI...) Show SMILES CN(C\C=C\COc1ccc(cc1)C(=O)c1ccc(Br)cc1)C1CC1 Show InChI InChI=1S/C21H22BrNO2/c1-23(19-10-11-19)14-2-3-15-25-20-12-6-17(7-13-20)21(24)16-4-8-18(22)9-5-16/h2-9,12-13,19H,10-11,14-15H2,1H3/b3-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	18	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 (Homo sapiens (Human))	BDBM50128062 ((4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMI...) Show SMILES CN(C\C=C\COc1ccc(cc1)C(=O)c1ccc(Br)cc1)C1CC1 Show InChI InChI=1S/C21H22BrNO2/c1-23(19-10-11-19)14-2-3-15-25-20-12-6-17(7-13-20)21(24)16-4-8-18(22)9-5-16/h2-9,12-13,19H,10-11,14-15H2,1H3/b3-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	19	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))	BDBM50128058 (ALLYL-{6-[3-(4-BROMO-PHENYL)-1-METHYL-1H-INDAZOL-6...) Show SMILES CN(CCCCCCOc1ccc2c(nn(C)c2c1)-c1ccc(Br)cc1)CC=C Show InChI InChI=1S/C24H30BrN3O/c1-4-15-27(2)16-7-5-6-8-17-29-21-13-14-22-23(18-21)28(3)26-24(22)19-9-11-20(25)12-10-19/h4,9-14,18H,1,5-8,15-17H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	19.6	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))	BDBM50128058 (ALLYL-{6-[3-(4-BROMO-PHENYL)-1-METHYL-1H-INDAZOL-6...) Show SMILES CN(CCCCCCOc1ccc2c(nn(C)c2c1)-c1ccc(Br)cc1)CC=C Show InChI InChI=1S/C24H30BrN3O/c1-4-15-27(2)16-7-5-6-8-17-29-21-13-14-22-23(18-21)28(3)26-24(22)19-9-11-20(25)12-10-19/h4,9-14,18H,1,5-8,15-17H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	19.6	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50128061 ((4-Bromo-phenyl)-(4-{2-[(cyclopropyl-methyl-amino)...) Show SMILES CN(C[C@H]1C[C@@H]1COc1ccc(cc1)C(=O)c1ccc(Br)cc1)C1CC1 Show InChI InChI=1S/C22H24BrNO2/c1-24(20-8-9-20)13-17-12-18(17)14-26-21-10-4-16(5-11-21)22(25)15-2-6-19(23)7-3-15/h2-7,10-11,17-18,20H,8-9,12-14H2,1H3/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	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))	BDBM50130779 (CHEMBL553281 | CHEMBL611755 | {4-[6-(Allyl-methyl-...) Show SMILES CN(CCCCCCOc1ccc(cc1)C(=O)c1ccccc1)CC=C Show InChI InChI=1S/C23H29NO2/c1-3-17-24(2)18-9-4-5-10-19-26-22-15-13-21(14-16-22)23(25)20-11-7-6-8-12-20/h3,6-8,11-16H,1,4-5,9-10,17-19H2,2H3	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	22.5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50128056 ((E)-N-allyl-4-(3-(4-bromophenyl)benzofuran-6-yloxy...) Show SMILES CN(CC=C)C\C=C\COc1ccc2c(coc2c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C22H22BrNO2/c1-3-12-24(2)13-4-5-14-25-19-10-11-20-21(16-26-22(20)15-19)17-6-8-18(23)9-7-17/h3-11,15-16H,1,12-14H2,2H3/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	23	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)
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50128070 ((4''-{[ALLYL(METHYL)AMINO]METHYL}-1,1''-BIPHENYL-4...) Show SMILES CN(CC=C)Cc1ccc(cc1)-c1ccc(cc1)C(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C24H22BrNO/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22/h3-15H,1,16-17H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	29	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 (Homo sapiens (Human))	BDBM50128067 ((2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)-5-FLUORO-1-METH...) Show SMILES CN(CC=C)C\C=C\COc1cc2n(C)nc(-c3ccc(Br)cc3)c2cc1F Show InChI InChI=1S/C22H23BrFN3O/c1-4-11-26(2)12-5-6-13-28-21-15-20-18(14-19(21)24)22(25-27(20)3)16-7-9-17(23)10-8-16/h4-10,14-15H,1,11-13H2,2-3H3/b6-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	29	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))	BDBM50128046 ((E)-N-allyl-4-(3-(4-bromophenyl)benzo[d]isoxazol-6...) Show SMILES CN(CC=C)C\C=C\COc1ccc2c(noc2c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C21H21BrN2O2/c1-3-12-24(2)13-4-5-14-25-18-10-11-19-20(15-18)26-23-21(19)16-6-8-17(22)9-7-16/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 Similars	Article PubMed	n/a	n/a	29	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))	BDBM50130771 ((4-Bromo-phenyl)-{4-[6-(cyclopropylmethyl-methyl-a...) Show SMILES CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(Br)cc1)CC1CC1 Show InChI InChI=1S/C24H30BrNO2/c1-26(18-19-6-7-19)16-4-2-3-5-17-28-23-14-10-21(11-15-23)24(27)20-8-12-22(25)13-9-20/h8-15,19H,2-7,16-18H2,1H3	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	31.8	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50130778 ((4-Bromo-phenyl)-{4-[6-(cyclopropyl-methyl-amino)-...) Show SMILES CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(Br)cc1)C1CC1 Show InChI InChI=1S/C23H28BrNO2/c1-25(21-12-13-21)16-4-2-3-5-17-27-22-14-8-19(9-15-22)23(26)18-6-10-20(24)11-7-18/h6-11,14-15,21H,2-5,12-13,16-17H2,1H3	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	35.3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50128071 ((4-(4-(4,5-dihydrooxazol-2-yl)benzylidene)piperidi...) Show SMILES Clc1ccc(cc1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]\c1ccc(cc1)-[#6]-1=[#7]-[#6]-[#6]-[#8]-1 |t:25| Show InChI InChI=1S/C22H21ClN2O2/c23-20-7-5-19(6-8-20)22(26)25-12-9-17(10-13-25)15-16-1-3-18(4-2-16)21-24-11-14-27-21/h1-8,15H,9-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	36	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
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50128048 ((4-Bromo-phenyl)-{4-[6-(cyclopropyl-methyl-amino)-...) Show SMILES CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)C1CC1 Show InChI InChI=1S/C23H27BrFNO2/c1-26(19-10-11-19)14-4-2-3-5-15-28-20-12-13-21(22(25)16-20)23(27)17-6-8-18(24)9-7-17/h6-9,12-13,16,19H,2-5,10-11,14-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	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))	BDBM50128051 (Allyl-{6-[3-(4-bromo-phenyl)-1H-indazol-6-yloxy]-h...) Show SMILES CN(CCCCCCOc1ccc2c(n[nH]c2c1)-c1ccc(Br)cc1)CC=C Show InChI InChI=1S/C23H28BrN3O/c1-3-14-27(2)15-6-4-5-7-16-28-20-12-13-21-22(17-20)25-26-23(21)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3,(H,25,26)	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	39	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
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50128060 (CHEMBL63524 | N-allyl-4-(4-(4-bromobenzoyl)phenoxy...) Show SMILES CN(CC=C)C\C=C\COc1ccc(cc1)C(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H22BrNO2/c1-3-14-23(2)15-4-5-16-25-20-12-8-18(9-13-20)21(24)17-6-10-19(22)11-7-17/h3-13H,1,14-16H2,2H3/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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))	BDBM50128057 (CHEMBL262532 | N-(6-(1-(4-fluorobenzoyl)piperidin-...) Show SMILES CN(CCCCCCOC1CCN(CC1)C(=O)c1ccc(F)cc1)C1CC1 Show InChI InChI=1S/C22H33FN2O2/c1-24(20-10-11-20)14-4-2-3-5-17-27-21-12-15-25(16-13-21)22(26)18-6-8-19(23)9-7-18/h6-9,20-21H,2-5,10-17H2,1H3	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	48	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
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50128046 ((E)-N-allyl-4-(3-(4-bromophenyl)benzo[d]isoxazol-6...) Show SMILES CN(CC=C)C\C=C\COc1ccc2c(noc2c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C21H21BrN2O2/c1-3-12-24(2)13-4-5-14-25-18-10-11-19-20(15-18)26-23-21(19)16-6-8-17(22)9-7-16/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 Similars	Article PubMed	n/a	n/a	49	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
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50128069 ((4-Bromo-phenyl)-(4-{2-[(cyclopropyl-methyl-amino)...) Show SMILES CN(C[C@H]1C[C@@H]1COc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)C1CC1 Show InChI InChI=1S/C22H23BrFNO2/c1-25(18-6-7-18)12-15-10-16(15)13-27-19-8-9-20(21(24)11-19)22(26)14-2-4-17(23)5-3-14/h2-5,8-9,11,15-16,18H,6-7,10,12-13H2,1H3/t15-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50128072 ((4-{2-[(Allyl-cyclopropyl-amino)-methyl]-cycloprop...) Show SMILES Brc1ccc(cc1)C(=O)c1ccc(OC[C@H]2C[C@@H]2CN(CC=C)C2CC2)cc1 Show InChI InChI=1S/C24H26BrNO2/c1-2-13-26(22-9-10-22)15-19-14-20(19)16-28-23-11-5-18(6-12-23)24(27)17-3-7-21(25)8-4-17/h2-8,11-12,19-20,22H,1,9-10,13-16H2/t19-,20-/m1/s1	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	59	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)
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50128065 (CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...) Show SMILES CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)CC=C Show InChI InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	60	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)
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50128061 ((4-Bromo-phenyl)-(4-{2-[(cyclopropyl-methyl-amino)...) Show SMILES CN(C[C@H]1C[C@@H]1COc1ccc(cc1)C(=O)c1ccc(Br)cc1)C1CC1 Show InChI InChI=1S/C22H24BrNO2/c1-24(20-8-9-20)13-17-12-18(17)14-26-21-10-4-16(5-11-21)22(25)15-2-6-19(23)7-3-15/h2-7,10-11,17-18,20H,8-9,12-14H2,1H3/t17-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62	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))	BDBM50128059 (CHEMBL66359 | N-allyl-6-(1-(4-fluorobenzoyl)piperi...) Show SMILES CN(CCCCCCOC1CCN(CC1)C(=O)c1ccc(F)cc1)CC=C Show InChI InChI=1S/C22H33FN2O2/c1-3-14-24(2)15-6-4-5-7-18-27-21-12-16-25(17-13-21)22(26)19-8-10-20(23)11-9-19/h3,8-11,21H,1,4-7,12-18H2,2H3	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	71	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

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