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PubMed code 26287401

Compile data set for download or QSAR
Found 39 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Lysosomal alpha-glucosidase


(Rattus norvegicus)		BDBM50104748
PNG
(CHEMBL3594154)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8])[C@]([#6])([#8])[#6]-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]/[#6]-c1cc(-[#8])ccc1-[#8] |r,c:22,t:6|
Show InChI InChI=1S/C51H74O7/c1-33(2)13-11-14-34(3)15-12-16-36(18-19-37-31-38(52)20-22-42(37)53)46(56)58-32-51(10,57)45(55)24-17-35(4)39-25-29-50(9)41-21-23-43-47(5,6)44(54)27-28-48(43,7)40(41)26-30-49(39,50)8/h13,15,18,20-22,26,31,35,39,43,45,52-53,55,57H,11-12,14,16-17,19,23-25,27-30,32H2,1-10H3/b34-15+,36-18-/t35-,39-,43+,45+,48-,49-,50+,51-/m1/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of maltase in rat intestinal mucosa pre-incubated for 40 mins using maltose substrate

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))		BDBM50104748
PNG
(CHEMBL3594154)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8])[C@]([#6])([#8])[#6]-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]/[#6]-c1cc(-[#8])ccc1-[#8] |r,c:22,t:6|
Show InChI InChI=1S/C51H74O7/c1-33(2)13-11-14-34(3)15-12-16-36(18-19-37-31-38(52)20-22-42(37)53)46(56)58-32-51(10,57)45(55)24-17-35(4)39-25-29-50(9)41-21-23-43-47(5,6)44(54)27-28-48(43,7)40(41)26-30-49(39,50)8/h13,15,18,20-22,26,31,35,39,43,45,52-53,55,57H,11-12,14,16-17,19,23-25,27-30,32H2,1-10H3/b34-15+,36-18-/t35-,39-,43+,45+,48-,49-,50+,51-/m1/s1
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n/an/a 8.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of sucrase in rat intestinal mucosa pre-incubated for 40 mins using sucrose substrate

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50356919
PNG
(CHEMBL1915760)
Show SMILES C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C |r,c:30,t:15|
Show InChI InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,14,19,21,24-25,31H,8-9,12-13,15-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,24+,25+,28-,29-,30+/m1/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104745
PNG
(Ganoderic acid DM)
Show SMILES [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CC\C=C(\C)C(O)=O |r,c:6|
Show InChI InChI=1S/C30H44O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,23H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10-/t18-,20-,23+,28-,29-,30+/m1/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104745
PNG
(Ganoderic acid DM)
Show SMILES [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CC\C=C(\C)C(O)=O |r,c:6|
Show InChI InChI=1S/C30H44O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,23H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10-/t18-,20-,23+,28-,29-,30+/m1/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)		BDBM50104749
PNG
(CHEMBL3594155)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]/[#6]-c1cc(-[#8])ccc1-[#8])[C@]([#6])([#8])[#6]-[#8] |r,c:22,t:6|
Show InChI InChI=1S/C51H74O7/c1-33(2)13-11-14-34(3)15-12-16-36(18-19-37-31-38(53)20-22-42(37)54)46(56)58-45(51(10,57)32-52)24-17-35(4)39-25-29-50(9)41-21-23-43-47(5,6)44(55)27-28-48(43,7)40(41)26-30-49(39,50)8/h13,15,18,20-22,26,31,35,39,43,45,52-54,57H,11-12,14,16-17,19,23-25,27-30,32H2,1-10H3/b34-15+,36-18-/t35-,39-,43+,45+,48-,49-,50+,51-/m1/s1
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n/an/a 1.01E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of maltase in rat intestinal mucosa pre-incubated for 40 mins using maltose substrate

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104764
PNG
(CHEMBL3594152)
Show SMILES [H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(COC(=O)C[C@@](C)(O)CC(O)=O)[C@]1([H])CC3=O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:7|
Show InChI InChI=1S/C36H48O12/c1-18(9-8-10-19(2)31(45)46)20-13-24(39)36(7)27-21(37)14-22-33(4,28(27)29(43)30(44)35(20,36)6)12-11-23(38)34(22,5)17-48-26(42)16-32(3,47)15-25(40)41/h10,18,20,22,30,44,47H,8-9,11-17H2,1-7H3,(H,40,41)(H,45,46)/b19-10+/t18-,20-,22-,30+,32+,33+,34+,35+,36+/m1/s1
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n/an/a 1.07E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104746
PNG
(Ganoderic Acid S)
Show SMILES [H][C@@]1(CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)[C@H](C)CC\C=C(\C)C(O)=O |r,c:22,t:6|
Show InChI InChI=1S/C30H44O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,14,19,21,24H,8-9,12-13,15-18H2,1-7H3,(H,32,33)/b20-10-/t19-,21-,24+,28-,29-,30+/m1/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104766
PNG
(CHEMBL3594158)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3=O)[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#8] |r,c:6|
Show InChI InChI=1S/C30H46O4/c1-19(8-7-9-20(17-31)18-32)21-10-15-30(6)26-22(11-14-29(21,30)5)28(4)13-12-25(34)27(2,3)24(28)16-23(26)33/h9,19,21,24,31-32H,7-8,10-18H2,1-6H3/t19-,21-,24+,28-,29-,30+/m1/s1
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n/an/a 1.26E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104765
PNG
(CHEMBL3594153)
Show SMILES [H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(COC(=O)C[C@@](C)(O)CC(O)=O)[C@]1([H])CC3=O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:7|
Show InChI InChI=1S/C36H48O11/c1-19(9-8-10-20(2)31(44)45)21-13-26(40)36(7)30-22(37)14-24-33(4,29(30)23(38)15-35(21,36)6)12-11-25(39)34(24,5)18-47-28(43)17-32(3,46)16-27(41)42/h10,19,21,24,46H,8-9,11-18H2,1-7H3,(H,41,42)(H,44,45)/b20-10+/t19-,21-,24-,32+,33+,34+,35-,36+/m1/s1
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n/an/a 1.33E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)		BDBM50333465
PNG
((2R,3R,4R,5R,6R)-5-((2R,3R,4R,5S,6R)-5-((2R,3R,4S,...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:37|
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1
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n/an/a 1.61E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of maltase in rat intestinal mucosa pre-incubated for 40 mins using maltose substrate

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)		BDBM50104751
PNG
(CHEMBL3594157)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3=O)[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8])[C@]([#6])([#8])[#6]-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]/[#6]-c1cc(-[#8])ccc1-[#8] |r,c:6|
Show InChI InChI=1S/C51H74O8/c1-32(2)13-11-14-33(3)15-12-16-35(18-19-36-29-37(52)20-21-40(36)53)46(57)59-31-51(10,58)44(56)22-17-34(4)38-23-28-50(9)45-39(24-27-49(38,50)8)48(7)26-25-43(55)47(5,6)42(48)30-41(45)54/h13,15,18,20-21,29,34,38,42,44,52-53,56,58H,11-12,14,16-17,19,22-28,30-31H2,1-10H3/b33-15+,35-18-/t34-,38-,42+,44+,48-,49-,50+,51-/m1/s1
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n/an/a 1.62E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of maltase in rat intestinal mucosa pre-incubated for 40 mins using maltose substrate

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50356923
PNG
(CHEMBL1915763)
Show SMILES C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C |r,c:31,t:16|
Show InChI InChI=1S/C30H48O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23,25,31,33-34H,8,10-12,14-18H2,1-7H3/t19-,20-,23+,25+,27-,28-,29+,30-/m1/s1
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n/an/a 1.68E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104754
PNG
(CHEMBL3594142)
Show SMILES [H][C@@]1(CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@]1([H])C[C@@H]3O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:6|
Show InChI InChI=1S/C30H44O6/c1-17(8-7-9-18(2)26(35)36)19-10-13-29(5)25-20(32)14-22-27(3,12-11-23(34)28(22,4)16-31)24(25)21(33)15-30(19,29)6/h9,17,19-20,22,31-32H,7-8,10-16H2,1-6H3,(H,35,36)/b18-9+/t17-,19-,20+,22-,27+,28+,29+,30-/m1/s1
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n/an/a 1.71E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))		BDBM50104751
PNG
(CHEMBL3594157)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3=O)[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8])[C@]([#6])([#8])[#6]-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]/[#6]-c1cc(-[#8])ccc1-[#8] |r,c:6|
Show InChI InChI=1S/C51H74O8/c1-32(2)13-11-14-33(3)15-12-16-35(18-19-36-29-37(52)20-21-40(36)53)46(57)59-31-51(10,58)44(56)22-17-34(4)38-23-28-50(9)45-39(24-27-49(38,50)8)48(7)26-25-43(55)47(5,6)42(48)30-41(45)54/h13,15,18,20-21,29,34,38,42,44,52-53,56,58H,11-12,14,16-17,19,22-28,30-31H2,1-10H3/b33-15+,35-18-/t34-,38-,42+,44+,48-,49-,50+,51-/m1/s1
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n/an/a 1.85E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of sucrase in rat intestinal mucosa pre-incubated for 40 mins using sucrose substrate

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104748
PNG
(CHEMBL3594154)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8])[C@]([#6])([#8])[#6]-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]/[#6]-c1cc(-[#8])ccc1-[#8] |r,c:22,t:6|
Show InChI InChI=1S/C51H74O7/c1-33(2)13-11-14-34(3)15-12-16-36(18-19-37-31-38(52)20-22-42(37)53)46(56)58-32-51(10,57)45(55)24-17-35(4)39-25-29-50(9)41-21-23-43-47(5,6)44(54)27-28-48(43,7)40(41)26-30-49(39,50)8/h13,15,18,20-22,26,31,35,39,43,45,52-53,55,57H,11-12,14,16-17,19,23-25,27-30,32H2,1-10H3/b34-15+,36-18-/t35-,39-,43+,45+,48-,49-,50+,51-/m1/s1
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n/an/a 1.89E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))		BDBM50333465
PNG
((2R,3R,4R,5R,6R)-5-((2R,3R,4R,5S,6R)-5-((2R,3R,4S,...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:37|
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1
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n/an/a 2.02E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of sucrase in rat intestinal mucosa pre-incubated for 40 mins using sucrose substrate

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104759
PNG
(CHEMBL3594147)
Show SMILES [H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@]1([H])CC3=O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:7|
Show InChI InChI=1S/C32H42O9/c1-16(9-8-10-17(2)28(39)40)19-13-23(37)32(7)24-20(35)14-21-29(4,12-11-22(36)30(21,5)15-33)25(24)26(38)27(31(19,32)6)41-18(3)34/h10,16,19,21,27,33H,8-9,11-15H2,1-7H3,(H,39,40)/b17-10+/t16-,19-,21-,27+,29+,30+,31+,32+/m1/s1
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n/an/a 2.05E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))		BDBM50104753
PNG
(CHEMBL2203595)
Show SMILES [H][C@@]1(C[C@H](O)[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)[C@H](C)CC\C=C(/C)C(O)=O |r,c:23,t:7|
Show InChI InChI=1S/C30H44O4/c1-18(9-8-10-19(2)26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h10-11,13,18,22-23,25,32H,8-9,12,14-17H2,1-7H3,(H,33,34)/b19-10+/t18-,22-,23+,25+,28-,29-,30-/m1/s1
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n/an/a 2.17E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase (unknown origin)

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))		BDBM50104752
PNG
(CHEMBL2203597)
Show SMILES [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:6|
Show InChI InChI=1S/C30H46O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,23-24,32H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10+/t18-,20-,23+,24+,28-,29-,30+/m1/s1
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n/an/a 2.23E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase (unknown origin)

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))		BDBM50104749
PNG
(CHEMBL3594155)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]/[#6]-c1cc(-[#8])ccc1-[#8])[C@]([#6])([#8])[#6]-[#8] |r,c:22,t:6|
Show InChI InChI=1S/C51H74O7/c1-33(2)13-11-14-34(3)15-12-16-36(18-19-37-31-38(53)20-22-42(37)54)46(56)58-45(51(10,57)32-52)24-17-35(4)39-25-29-50(9)41-21-23-43-47(5,6)44(55)27-28-48(43,7)40(41)26-30-49(39,50)8/h13,15,18,20-22,26,31,35,39,43,45,52-54,57H,11-12,14,16-17,19,23-25,27-30,32H2,1-10H3/b34-15+,36-18-/t35-,39-,43+,45+,48-,49-,50+,51-/m1/s1
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n/an/a 2.25E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of sucrase in rat intestinal mucosa pre-incubated for 40 mins using sucrose substrate

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104749
PNG
(CHEMBL3594155)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]/[#6]-c1cc(-[#8])ccc1-[#8])[C@]([#6])([#8])[#6]-[#8] |r,c:22,t:6|
Show InChI InChI=1S/C51H74O7/c1-33(2)13-11-14-34(3)15-12-16-36(18-19-37-31-38(53)20-22-42(37)54)46(56)58-45(51(10,57)32-52)24-17-35(4)39-25-29-50(9)41-21-23-43-47(5,6)44(55)27-28-48(43,7)40(41)26-30-49(39,50)8/h13,15,18,20-22,26,31,35,39,43,45,52-54,57H,11-12,14,16-17,19,23-25,27-30,32H2,1-10H3/b34-15+,36-18-/t35-,39-,43+,45+,48-,49-,50+,51-/m1/s1
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n/an/a 2.41E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104763
PNG
(CHEMBL3594151)
Show SMILES [H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(COC(=O)C[C@@](C)(O)CC(O)=O)[C@]1([H])C[C@@H]3O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:7|
Show InChI InChI=1S/C38H52O13/c1-19(10-9-11-20(2)33(47)48)22-14-26(42)38(8)29-23(40)15-24-35(5,30(29)31(46)32(37(22,38)7)51-21(3)39)13-12-25(41)36(24,6)18-50-28(45)17-34(4,49)16-27(43)44/h11,19,22-24,32,40,49H,9-10,12-18H2,1-8H3,(H,43,44)(H,47,48)/b20-11+/t19-,22-,23+,24-,32+,34+,35+,36+,37+,38+/m1/s1
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n/an/a 2.64E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104756
PNG
(CHEMBL3594144)
Show SMILES [H][C@@]1(CC[C@@]2(C)C3=C(C(=O)[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@]1([H])C[C@@H]3O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:6|
Show InChI InChI=1S/C32H46O8/c1-17(9-8-10-18(2)28(38)39)20-11-14-31(6)24-21(35)15-22-29(4,13-12-23(36)30(22,5)16-33)25(24)26(37)27(32(20,31)7)40-19(3)34/h10,17,20-22,27,33,35H,8-9,11-16H2,1-7H3,(H,38,39)/b18-10+/t17-,20-,21+,22-,27+,29+,30+,31+,32+/m1/s1
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n/an/a 2.66E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM22164
PNG
((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylca...)
Show SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccccc1 |r|
Show InChI InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1
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n/an/a 3.21E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104761
PNG
(CHEMBL3594149)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6](=O)-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3=O)[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8] |r,c:6|
Show InChI InChI=1S/C30H44O5/c1-18(8-7-9-19(16-31)17-32)20-10-13-29(5)26-21(33)14-23-27(2,3)24(35)11-12-28(23,4)25(26)22(34)15-30(20,29)6/h9,18,20,23,31-32H,7-8,10-17H2,1-6H3/t18-,20-,23+,28+,29+,30-/m1/s1
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n/an/a 3.29E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)		BDBM50104750
PNG
(CHEMBL3594156)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]\[#6]-c1cc(-[#8])ccc1-[#8])[C@]([#6])([#8])[#6]-[#8] |r,c:22,t:6|
Show InChI InChI=1S/C51H74O7/c1-33(2)13-11-14-34(3)15-12-16-36(18-19-37-31-38(53)20-22-42(37)54)46(56)58-45(51(10,57)32-52)24-17-35(4)39-25-29-50(9)41-21-23-43-47(5,6)44(55)27-28-48(43,7)40(41)26-30-49(39,50)8/h13,15,18,20-22,26,31,35,39,43,45,52-54,57H,11-12,14,16-17,19,23-25,27-30,32H2,1-10H3/b34-15+,36-18+/t35-,39-,43+,45+,48-,49-,50+,51-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of maltase in rat intestinal mucosa pre-incubated for 40 mins using maltose substrate

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))		BDBM50104750
PNG
(CHEMBL3594156)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]\[#6]-c1cc(-[#8])ccc1-[#8])[C@]([#6])([#8])[#6]-[#8] |r,c:22,t:6|
Show InChI InChI=1S/C51H74O7/c1-33(2)13-11-14-34(3)15-12-16-36(18-19-37-31-38(53)20-22-42(37)54)46(56)58-45(51(10,57)32-52)24-17-35(4)39-25-29-50(9)41-21-23-43-47(5,6)44(55)27-28-48(43,7)40(41)26-30-49(39,50)8/h13,15,18,20-22,26,31,35,39,43,45,52-54,57H,11-12,14,16-17,19,23-25,27-30,32H2,1-10H3/b34-15+,36-18+/t35-,39-,43+,45+,48-,49-,50+,51-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of sucrase in rat intestinal mucosa pre-incubated for 40 mins using sucrose substrate

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104755
PNG
(CHEMBL3594143)
Show SMILES [H][C@@]1(CC[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@]1([H])C[C@@H]3O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:6|
Show InChI InChI=1S/C30H44O7/c1-16(8-7-9-17(2)26(36)37)18-10-13-29(5)22-19(32)14-20-27(3,12-11-21(33)28(20,4)15-31)23(22)24(34)25(35)30(18,29)6/h9,16,18-20,25,31-32,35H,7-8,10-15H2,1-6H3,(H,36,37)/b17-9+/t16-,18-,19+,20-,25+,27+,28+,29+,30+/m1/s1
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n/an/a 6.69E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104757
PNG
(CHEMBL3594145)
Show SMILES [H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@]1([H])C[C@@H]3O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:7|
Show InChI InChI=1S/C32H44O9/c1-16(9-8-10-17(2)28(39)40)19-13-23(37)32(7)24-20(35)14-21-29(4,12-11-22(36)30(21,5)15-33)25(24)26(38)27(31(19,32)6)41-18(3)34/h10,16,19-21,27,33,35H,8-9,11-15H2,1-7H3,(H,39,40)/b17-10+/t16-,19-,20+,21-,27+,29+,30+,31+,32+/m1/s1
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n/an/a 9.75E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104768
PNG
(CHEMBL3594159)
Show SMILES [H][C@@]1(CC[C@@]2(C)C3=C(C(O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CC\C=C(\C)C(O)=O |r,c:6|
Show InChI InChI=1S/C30H44O5/c1-17(9-8-10-18(2)26(34)35)19-11-14-29(6)25-20(31)15-22-27(3,4)23(33)12-13-28(22,5)24(25)21(32)16-30(19,29)7/h10,17,19,21-22,32H,8-9,11-16H2,1-7H3,(H,34,35)/b18-10-/t17-,19-,21?,22+,28+,29+,30-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104760
PNG
(CHEMBL3594148)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6](=O)-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[C@]1([H])[#6]-[#6@@H]-3-[#8])[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8] |r,c:6|
Show InChI InChI=1S/C30H46O5/c1-18(8-7-9-19(16-31)17-32)20-10-13-29(5)26-21(33)14-23-27(2,3)24(35)11-12-28(23,4)25(26)22(34)15-30(20,29)6/h9,18,20-21,23,31-33H,7-8,10-17H2,1-6H3/t18-,20-,21+,23+,28+,29+,30-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104751
PNG
(CHEMBL3594157)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3=O)[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8])[C@]([#6])([#8])[#6]-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]/[#6]-c1cc(-[#8])ccc1-[#8] |r,c:6|
Show InChI InChI=1S/C51H74O8/c1-32(2)13-11-14-33(3)15-12-16-35(18-19-36-29-37(52)20-21-40(36)53)46(57)59-31-51(10,58)44(56)22-17-34(4)38-23-28-50(9)45-39(24-27-49(38,50)8)48(7)26-25-43(55)47(5,6)42(48)30-41(45)54/h13,15,18,20-21,29,34,38,42,44,52-53,56,58H,11-12,14,16-17,19,22-28,30-31H2,1-10H3/b33-15+,35-18-/t34-,38-,42+,44+,48-,49-,50+,51-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104747
PNG
(CHEMBL3594160)
Show SMILES [H][C@@]1([#6]-[#6@@H](-[#8])[C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8] |r,c:23,t:7|
Show InChI InChI=1S/C30H46O4/c1-19(8-7-9-20(17-31)18-32)23-16-26(34)30(6)22-10-11-24-27(2,3)25(33)13-14-28(24,4)21(22)12-15-29(23,30)5/h9-10,12,19,23-24,26,31-32,34H,7-8,11,13-18H2,1-6H3/t19-,23-,24+,26-,28-,29-,30-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50356920
PNG
(CHEMBL1915761)
Show SMILES [#6]-[#6@H](-[#6]-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#8])-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6]-[#6@H]4C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6] |r,c:30,t:15|
Show InChI InChI=1S/C30H46O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25,31-32H,7-8,11-12,14-19H2,1-6H3/t20-,22-,25+,28-,29-,30+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104758
PNG
(CHEMBL3594146)
Show SMILES [H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@]1([H])C[C@@H]3O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:7|
Show InChI InChI=1S/C30H42O8/c1-15(8-7-9-16(2)26(37)38)17-12-21(34)30(6)22-18(32)13-19-27(3,11-10-20(33)28(19,4)14-31)23(22)24(35)25(36)29(17,30)5/h9,15,17-19,25,31-32,36H,7-8,10-14H2,1-6H3,(H,37,38)/b16-9+/t15-,17-,18+,19-,25+,27+,28+,29+,30+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104750
PNG
(CHEMBL3594156)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6@H](-[#8]-[#6](=O)-[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]\[#6]-c1cc(-[#8])ccc1-[#8])[C@]([#6])([#8])[#6]-[#8] |r,c:22,t:6|
Show InChI InChI=1S/C51H74O7/c1-33(2)13-11-14-34(3)15-12-16-36(18-19-37-31-38(53)20-22-42(37)54)46(56)58-45(51(10,57)32-52)24-17-35(4)39-25-29-50(9)41-21-23-43-47(5,6)44(55)27-28-48(43,7)40(41)26-30-49(39,50)8/h13,15,18,20-22,26,31,35,39,43,45,52-54,57H,11-12,14,16-17,19,23-25,27-30,32H2,1-10H3/b34-15+,36-18+/t35-,39-,43+,45+,48-,49-,50+,51-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104767
PNG
(CHEBI:65945 | GANODERONE A)
Show SMILES [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CC\C=C(/C)CO |r,c:6|
Show InChI InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,20-21,24,31H,8,10-18H2,1-7H3/b19-9+/t20-,21-,24+,28-,29-,30+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)		BDBM50104762
PNG
(CHEMBL3594150)
Show SMILES [H][C@@]1([#6]-[#6@@H](-[#8])[C@@]2([#6])[#6]-3=[#6](-[#6](=O)-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3)[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8] |r,c:7|
Show InChI InChI=1S/C30H46O5/c1-18(8-7-9-19(16-31)17-32)21-14-25(35)30(6)20-10-11-23-27(2,3)24(34)12-13-28(23,4)26(20)22(33)15-29(21,30)5/h9,18,21,23,25,31-32,35H,7-8,10-17H2,1-6H3/t18-,21-,23+,25-,28+,29-,30-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method

J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%