Compile Data Set for Download or QSAR

Found 16 hits of ki for UniProtKB: P48450   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lanosterol synthase (Rattus norvegicus)	BDBM50003025 (1-((4aS,5S,6S,8aS)-6-Hydroxy-5,8a-dimethyl-octahyd...) Show SMILES CCCCCCCCCCCC(=O)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 Show InChI InChI=1S/C23H43NO2/c1-4-5-6-7-8-9-10-11-12-13-22(26)24-17-15-20-19(2)21(25)14-16-23(20,3)18-24/h19-21,25H,4-18H2,1-3H3/t19-,20-,21-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration of the compound 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
Lanosterol synthase (Rattus norvegicus)	BDBM50055641 (2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6...) Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#16]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6] Show InChI InChI=1S/C29H50OS/c1-23(2)13-11-18-27(6)31-22-21-26(5)15-10-9-14-24(3)16-12-17-25(4)19-20-28-29(7,8)30-28/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-17+,26-15+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from rat liver				J Med Chem 40: 201-9 (1997) Article DOI: 10.1021/jm960483a BindingDB Entry DOI: 10.7270/Q2P26X73
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50055642 (2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#16]-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6] Show InChI InChI=1S/C28H48OS/c1-23(2)13-11-21-30-22-12-18-25(4)15-9-8-14-24(3)16-10-17-26(5)19-20-27-28(6,7)29-27/h13-15,17,27H,8-12,16,18-22H2,1-7H3/b24-14+,25-15+,26-17+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from rat liver				J Med Chem 40: 201-9 (1997) Article DOI: 10.1021/jm960483a BindingDB Entry DOI: 10.7270/Q2P26X73
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50051375 ((6S,8aS)-5,5,8a-Trimethyl-2-((E)-1,5,9-trimethyl-d...) Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#7]-1-[#6]-[#6]=[#6]2C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]2([#6])[#6]-1 |t:15| Show InChI InChI=1S/C25H43NO/c1-19(2)10-8-11-20(3)12-9-13-21(4)26-17-15-22-24(5,6)23(27)14-16-25(22,7)18-26/h10,12,15,21,23,27H,8-9,11,13-14,16-18H2,1-7H3/b20-12+/t21?,23-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier SCA Curated by ChEMBL					Assay Description Binding affinity towards competitive inhibition against rat microsomal Oxidosqualene-lanosterol cyclase				J Med Chem 39: 2302-12 (1996) Article DOI: 10.1021/jm9504621 BindingDB Entry DOI: 10.7270/Q28G8JTB
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50051375 ((6S,8aS)-5,5,8a-Trimethyl-2-((E)-1,5,9-trimethyl-d...) Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#7]-1-[#6]-[#6]=[#6]2C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]2([#6])[#6]-1 |t:15| Show InChI InChI=1S/C25H43NO/c1-19(2)10-8-11-20(3)12-9-13-21(4)26-17-15-22-24(5,6)23(27)14-16-25(22,7)18-26/h10,12,15,21,23,27H,8-9,11,13-14,16-18H2,1-7H3/b20-12+/t21?,23-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier SCA Curated by ChEMBL					Assay Description Binding affinity towards noncompetetive inhibition against rat microsomal Oxidosqualene-lanosterol cyclase				J Med Chem 39: 2302-12 (1996) Article DOI: 10.1021/jm9504621 BindingDB Entry DOI: 10.7270/Q28G8JTB
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50055643 (2,2-Dimethyl-3-[(E)-3-methyl-7-((3E,7E)-4,8,12-tri...) Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6])-[#16]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C29H50OS/c1-23(2)13-9-14-24(3)15-10-16-25(4)18-12-22-31-27(6)19-11-17-26(5)20-21-28-29(7,8)30-28/h13,15,17-18,27-28H,9-12,14,16,19-22H2,1-8H3/b24-15+,25-18+,26-17+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from pig liver				J Med Chem 40: 201-9 (1997) Article DOI: 10.1021/jm960483a BindingDB Entry DOI: 10.7270/Q2P26X73
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50055642 (2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#16]-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6] Show InChI InChI=1S/C28H48OS/c1-23(2)13-11-21-30-22-12-18-25(4)15-9-8-14-24(3)16-10-17-26(5)19-20-27-28(6,7)29-27/h13-15,17,27H,8-12,16,18-22H2,1-7H3/b24-14+,25-15+,26-17+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from pig liver				J Med Chem 40: 201-9 (1997) Article DOI: 10.1021/jm960483a BindingDB Entry DOI: 10.7270/Q2P26X73
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50055641 (2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6...) Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#16]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6] Show InChI InChI=1S/C29H50OS/c1-23(2)13-11-18-27(6)31-22-21-26(5)15-10-9-14-24(3)16-12-17-25(4)19-20-28-29(7,8)30-28/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-17+,26-15+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from pig liver				J Med Chem 40: 201-9 (1997) Article DOI: 10.1021/jm960483a BindingDB Entry DOI: 10.7270/Q2P26X73
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50055644 (2-Methyl-3-((7E,11E,15Z)-3,7,12,20-tetramethyl-16-...) Show SMILES [#6]-[#6](-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]=[#6])-[#6]-[#6]-[#6]-1-[#8]-[#6]-1-[#6] Show InChI InChI=1S/C30H50O/c1-8-29(20-11-14-24(2)3)21-13-19-26(5)16-10-9-15-25(4)17-12-18-27(6)22-23-30-28(7)31-30/h8,14-16,21,27-28,30H,1,9-13,17-20,22-23H2,2-7H3/b25-15+,26-16+,29-21+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from rat liver				J Med Chem 40: 201-9 (1997) Article DOI: 10.1021/jm960483a BindingDB Entry DOI: 10.7270/Q2P26X73
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50290988 (2,2-Dimethyl-3-(3,7,12,20-tetramethyl-16-vinyl-hen...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6]=[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6@@H]1-[#8]C1([#6])[#6] Show InChI InChI=1S/C31H50O/c1-9-29(21-12-15-25(2)3)22-14-20-27(5)17-11-10-16-26(4)18-13-19-28(6)23-24-30-31(7,8)32-30/h9,15-17,19,22,30H,1,10-14,18,20-21,23-24H2,2-8H3/b26-16+,27-17+,28-19+,29-22+/t30-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity against rat liver oxidosqualene cyclase (OSC)				Bioorg Med Chem Lett 7: 309-314 (1997) Article DOI: 10.1016/S0960-894X(97)00008-5 BindingDB Entry DOI: 10.7270/Q26H4HDR
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50055644 (2-Methyl-3-((7E,11E,15Z)-3,7,12,20-tetramethyl-16-...) Show SMILES [#6]-[#6](-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]=[#6])-[#6]-[#6]-[#6]-1-[#8]-[#6]-1-[#6] Show InChI InChI=1S/C30H50O/c1-8-29(20-11-14-24(2)3)21-13-19-26(5)16-10-9-15-25(4)17-12-18-27(6)22-23-30-28(7)31-30/h8,14-16,21,27-28,30H,1,9-13,17-20,22-23H2,2-7H3/b25-15+,26-16+,29-21+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from pig liver				J Med Chem 40: 201-9 (1997) Article DOI: 10.1021/jm960483a BindingDB Entry DOI: 10.7270/Q2P26X73
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50055640 (3-[(3E,7E)-11-((E)-4,8-Dimethyl-nona-3,7-dienylsul...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#16]-[#6]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6] Show InChI InChI=1S/C28H48OS/c1-23(2)13-10-15-25(4)18-12-22-30-21-9-8-14-24(3)16-11-17-26(5)19-20-27-28(6,7)29-27/h13-14,17-18,27H,8-12,15-16,19-22H2,1-7H3/b24-14+,25-18+,26-17+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from pig liver				J Med Chem 40: 201-9 (1997) Article DOI: 10.1021/jm960483a BindingDB Entry DOI: 10.7270/Q2P26X73
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50290991 (2,2-Dimethyl-3-(3,7,12,20-tetramethyl-16-vinyl-hen...) Show SMILES CC(C)CCC\C(C=C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CC[C@@H]1OC1(C)C Show InChI InChI=1S/C31H52O/c1-9-29(21-12-15-25(2)3)22-14-20-27(5)17-11-10-16-26(4)18-13-19-28(6)23-24-30-31(7,8)32-30/h9,16-17,19,22,25,30H,1,10-15,18,20-21,23-24H2,2-8H3/b26-16+,27-17+,28-19+,29-22+/t30-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity against rat liver oxidosqualene cyclase (OSC)				Bioorg Med Chem Lett 7: 309-314 (1997) Article DOI: 10.1016/S0960-894X(97)00008-5 BindingDB Entry DOI: 10.7270/Q26H4HDR
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50290992 (3-[16-(2,2-Difluoro-vinyl)-3,7,12,20-tetramethyl-h...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6@@H]1-[#8]C1([#6])[#6])\[#6]=[#6](/F)F Show InChI InChI=1S/C31H48F2O/c1-24(2)13-10-19-28(23-30(32)33)20-12-18-26(4)15-9-8-14-25(3)16-11-17-27(5)21-22-29-31(6,7)34-29/h13-15,17,20,23,29H,8-12,16,18-19,21-22H2,1-7H3/b25-14+,26-15+,27-17+,28-20-/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration that cause 50 percent inhibition of binding of [14C]-labeled (3S)-oxidosqualene to isolated rat liver oxidosqualene cyclase (OSC) was d...				Bioorg Med Chem Lett 7: 309-314 (1997) Article DOI: 10.1016/S0960-894X(97)00008-5 BindingDB Entry DOI: 10.7270/Q26H4HDR
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50290989 (3-[16-(2,2-Difluoro-vinyl)-3,7,12,20-tetramethyl-h...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6]-[#6]\[#6](=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6@@H]1-[#8]C1([#6])[#6])\[#6]=[#6](/F)F Show InChI InChI=1S/C31H50F2O/c1-24(2)13-10-19-28(23-30(32)33)20-12-18-26(4)15-9-8-14-25(3)16-11-17-27(5)21-22-29-31(6,7)34-29/h14-15,17,20,23-24,29H,8-13,16,18-19,21-22H2,1-7H3/b25-14+,26-15+,27-17+,28-20-/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity against rat liver oxidosqualene cyclase (OSC)				Bioorg Med Chem Lett 7: 309-314 (1997) Article DOI: 10.1016/S0960-894X(97)00008-5 BindingDB Entry DOI: 10.7270/Q26H4HDR
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50055645 ((6E,10E,14E)-2,6,10,15,19-Pentamethyl-21-(3-methyl...) Show SMILES CC(C)CCC(=O)C(C)C=CC\C(C)=C\CC\C=C(/C)CCCC(C)CCC1OC1C |w:9.8| Show InChI InChI=1S/C29H50O2/c1-22(2)18-20-28(30)26(6)17-11-16-24(4)13-9-8-12-23(3)14-10-15-25(5)19-21-29-27(7)31-29/h11-13,17,22,25-27,29H,8-10,14-16,18-21H2,1-7H3/b17-11?,23-12+,24-13+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition constant against rat liver Oxidosqualene-lanosterol cyclase				J Med Chem 40: 201-9 (1997) Article DOI: 10.1021/jm960483a BindingDB Entry DOI: 10.7270/Q2P26X73
					More data for this Ligand-Target Pair