Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'madden' and Initial = 'ba'   

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 (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)	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)	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	n/a	n/a	300	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)	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	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration that cause 50% inhibition of pig liver oxidosqualene cyclase (OSC) was determined				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)	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	n/a	n/a	2.00E+3	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)	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	n/a	n/a	3.00E+3	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	n/a	n/a	1.80E+4	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)	BDBM50290987 (3-(18,18-Difluoro-3,7,12-trimethyl-octadeca-3,7,11...) Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6]/[#6]=[#6](\F)F)=[#6]/[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6@@H]1-[#8]C1([#6])[#6] Show InChI InChI=1S/C25H38F2O/c1-20(12-7-6-8-17-24(26)27)13-9-10-14-21(2)15-11-16-22(3)18-19-23-25(4,5)28-23/h6,8,13-14,16-17,23H,7,9-12,15,18-19H2,1-5H3/b8-6-,20-13+,21-14+,22-16+/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.00E+4	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)	BDBM50290990 (2,2-Dimethyl-3-(3,7,12-trimethyl-octadeca-3,7,11,1...) Show SMILES C\C(CC\C=C/C=C)=C/CC\C=C(/C)CC\C=C(/C)CC[C@@H]1OC1(C)C Show InChI InChI=1S/C25H40O/c1-7-8-9-10-14-21(2)15-11-12-16-22(3)17-13-18-23(4)19-20-24-25(5,6)26-24/h7-9,15-16,18,24H,1,10-14,17,19-20H2,2-6H3/b9-8-,21-15+,22-16+,23-18+/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.00E+4	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