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Compile Data Set for Download or QSAR

Found 15 hits of ic50 for UniProtKB: P09610   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226161
PNG
(CHEMBL261622 | GFPDGG)
Show SMILES NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C24H32N6O9/c25-11-18(31)28-16(9-14-5-2-1-3-6-14)24(39)30-8-4-7-17(30)23(38)29-15(10-20(33)34)22(37)27-12-19(32)26-13-21(35)36/h1-3,5-6,15-17H,4,7-13,25H2,(H,26,32)(H,27,37)(H,28,31)(H,29,38)(H,33,34)(H,35,36)/t15-,16-,17-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226160
PNG
(CHEMBL261621 | GFPEGG)
Show SMILES NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C25H34N6O9/c26-12-19(32)29-17(11-15-5-2-1-3-6-15)25(40)31-10-4-7-18(31)24(39)30-16(8-9-21(34)35)23(38)28-13-20(33)27-14-22(36)37/h1-3,5-6,16-18H,4,7-14,26H2,(H,27,33)(H,28,38)(H,29,32)(H,30,39)(H,34,35)(H,36,37)/t16-,17-,18-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226166
PNG
(CHEMBL258583 | F(4-Fluoro)VAE | F(4-fluro)VAE)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(F)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H31FN4O7/c1-11(2)18(27-20(31)15(24)10-13-4-6-14(23)7-5-13)21(32)25-12(3)19(30)26-16(22(33)34)8-9-17(28)29/h4-7,11-12,15-16,18H,8-10,24H2,1-3H3,(H,25,32)(H,26,30)(H,27,31)(H,28,29)(H,33,34)/t12-,15-,16-,18-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226162
PNG
(CHEMBL258999 | GFPTGG)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C24H34N6O8/c1-14(31)21(23(37)27-12-19(33)26-13-20(34)35)29-22(36)17-8-5-9-30(17)24(38)16(28-18(32)11-25)10-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,21,31H,5,8-13,25H2,1H3,(H,26,33)(H,27,37)(H,28,32)(H,29,36)(H,34,35)/t14-,16+,17+,21+/m1/s1
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n/an/a 1.69E+4n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226165
PNG
(CHEMBL261334 | GLPTGG)
Show SMILES CC(C)C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C21H36N6O8/c1-11(2)7-13(25-15(29)8-22)21(35)27-6-4-5-14(27)19(33)26-18(12(3)28)20(34)24-9-16(30)23-10-17(31)32/h11-14,18,28H,4-10,22H2,1-3H3,(H,23,30)(H,24,34)(H,25,29)(H,26,33)(H,31,32)/t12-,13+,14+,18+/m1/s1
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n/an/a 1.94E+4n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226164
PNG
(CHEMBL412295 | GLPDGG)
Show SMILES CC(C)C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C21H34N6O9/c1-11(2)6-13(25-15(28)8-22)21(36)27-5-3-4-14(27)20(35)26-12(7-17(30)31)19(34)24-9-16(29)23-10-18(32)33/h11-14H,3-10,22H2,1-2H3,(H,23,29)(H,24,34)(H,25,28)(H,26,35)(H,30,31)(H,32,33)/t12-,13-,14-/m0/s1
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n/an/a 2.23E+4n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226163
PNG
(CHEMBL410639 | GLPEGG)
Show SMILES CC(C)C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C22H36N6O9/c1-12(2)8-14(26-16(29)9-23)22(37)28-7-3-4-15(28)21(36)27-13(5-6-18(31)32)20(35)25-10-17(30)24-11-19(33)34/h12-15H,3-11,23H2,1-2H3,(H,24,30)(H,25,35)(H,26,29)(H,27,36)(H,31,32)(H,33,34)/t13-,14-,15-/m0/s1
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n/an/a 2.72E+4n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226168
PNG
(CHEMBL411443 | YVAE)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H32N4O8/c1-11(2)18(26-20(31)15(23)10-13-4-6-14(27)7-5-13)21(32)24-12(3)19(30)25-16(22(33)34)8-9-17(28)29/h4-7,11-12,15-16,18,27H,8-10,23H2,1-3H3,(H,24,32)(H,25,30)(H,26,31)(H,28,29)(H,33,34)/t12-,15-,16-,18-/m0/s1
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n/an/a 4.18E+4n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50375320
PNG
(CHEMBL409127)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H32N4O7/c1-12(2)18(26-20(30)15(23)11-14-7-5-4-6-8-14)21(31)24-13(3)19(29)25-16(22(32)33)9-10-17(27)28/h4-8,12-13,15-16,18H,9-11,23H2,1-3H3,(H,24,31)(H,25,29)(H,26,30)(H,27,28)(H,32,33)/t13-,15-,16-,18-/m0/s1
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n/an/a 4.38E+4n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226169
PNG
(CHEMBL261748 | IVAE)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C19H34N4O7/c1-6-10(4)14(20)17(27)23-15(9(2)3)18(28)21-11(5)16(26)22-12(19(29)30)7-8-13(24)25/h9-12,14-15H,6-8,20H2,1-5H3,(H,21,28)(H,22,26)(H,23,27)(H,24,25)(H,29,30)/t10-,11-,12-,14-,15-/m0/s1
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n/an/a 4.41E+4n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226170
PNG
(CHEMBL409841 | YAVE)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H32N4O8/c1-11(2)18(21(32)25-16(22(33)34)8-9-17(28)29)26-19(30)12(3)24-20(31)15(23)10-13-4-6-14(27)7-5-13/h4-7,11-12,15-16,18,27H,8-10,23H2,1-3H3,(H,24,31)(H,25,32)(H,26,30)(H,28,29)(H,33,34)/t12-,15-,16-,18-/m0/s1
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n/an/a 5.26E+4n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226171
PNG
(CHEMBL259240 | IAVE)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C19H34N4O7/c1-6-10(4)14(20)17(27)21-11(5)16(26)23-15(9(2)3)18(28)22-12(19(29)30)7-8-13(24)25/h9-12,14-15H,6-8,20H2,1-5H3,(H,21,27)(H,22,28)(H,23,26)(H,24,25)(H,29,30)/t10-,11-,12-,14-,15-/m0/s1
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n/an/a 7.52E+4n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50375321
PNG
(CHEMBL261093)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C19H34N4O5/c1-6-11(4)14(20)17(25)21-12(5)16(24)22-15(10(2)3)18(26)23-9-7-8-13(23)19(27)28/h10-15H,6-9,20H2,1-5H3,(H,21,25)(H,22,24)(H,27,28)/t11-,12-,13-,14-,15-/m0/s1
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n/an/a 9.71E+4n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226173
PNG
(CHEMBL260510 | IAVPGEVA)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C34H58N8O11/c1-9-18(6)25(35)31(49)37-19(7)28(46)41-27(17(4)5)33(51)42-14-10-11-22(42)30(48)36-15-23(43)39-21(12-13-24(44)45)29(47)40-26(16(2)3)32(50)38-20(8)34(52)53/h16-22,25-27H,9-15,35H2,1-8H3,(H,36,48)(H,37,49)(H,38,50)(H,39,43)(H,40,47)(H,41,46)(H,44,45)(H,52,53)/t18-,19-,20-,21-,22-,25-,26-,27-/m0/s1
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n/an/a 1.52E+5n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226159
PNG
(CHEMBL412060 | LPYP)
Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C25H36N4O6/c1-15(2)13-18(26)23(32)28-11-3-5-20(28)22(31)27-19(14-16-7-9-17(30)10-8-16)24(33)29-12-4-6-21(29)25(34)35/h7-10,15,18-21,30H,3-6,11-14,26H2,1-2H3,(H,27,31)(H,34,35)/t18-,19-,20-,21-/m0/s1
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n/an/a 4.85E+5n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
More data for this
Ligand-Target Pair