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47 similar compounds to monomer 50215666

Compile data set for download or QSAR
Wt: 557.6
BDBM18374
Wt: 510.5
BDBM18378
Wt: 572.6
BDBM18380
Wt: 558.6
BDBM18381
Wt: 538.5
BDBM18382
Wt: 511.5
BDBM18383
Wt: 525.5
BDBM18384
Wt: 405.4
BDBM18385
Wt: 481.5
BDBM18386
Wt: 553.5
BDBM18387
Wt: 609.6
BDBM24428
Wt: 454.4
BDBM24429
Wt: 619.6
BDBM24430
Wt: 588.6
BDBM24432
Wt: 548.5
BDBM24433
Displayed 1 to 15 (of 47 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 18374,18378,18380,18381,18382,18383,18384,18385,18386,18387,24428,24429,24430,24432,24433   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18374
PNG
(CHEMBL394937 | Pyrrole-based compound, 30 | sodium...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccccc1)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H35FN2O5/c1-21(2)36-28(18-17-26(37)19-27(38)20-29(39)40)30(23-13-15-24(34)16-14-23)31(22-9-5-3-6-10-22)32(36)33(41)35-25-11-7-4-8-12-25/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/p-1/t26-,27-/m1/s1
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n/an/a 12n/an/an/an/a7.237



Pfizer Inc



Assay Description
Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...


Bioorg Med Chem 15: 5576-89 (2007)


Article DOI: 10.1016/j.bmc.2007.05.031
BindingDB Entry DOI: 10.7270/Q23J3B7G
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18378
PNG
(Pyridyl substituted pyrrole compound, 13 | sodium ...)
Show SMILES CCNC(=O)c1c(c(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n1C(C)C)-c1ccc(F)cc1)-c1ccccn1
Show InChI InChI=1S/C28H34FN3O5/c1-4-30-28(37)27-26(22-7-5-6-14-31-22)25(18-8-10-19(29)11-9-18)23(32(27)17(2)3)13-12-20(33)15-21(34)16-24(35)36/h5-11,14,17,20-21,33-34H,4,12-13,15-16H2,1-3H3,(H,30,37)(H,35,36)/p-1/t20-,21-/m1/s1
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n/an/a 21n/an/an/an/a7.237



Pfizer Inc



Assay Description
Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...


Bioorg Med Chem 15: 5576-89 (2007)


Article DOI: 10.1016/j.bmc.2007.05.031
BindingDB Entry DOI: 10.7270/Q23J3B7G
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18380
PNG
(Pyridyl substituted pyrrole compound, 15 | sodium ...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1ccccc1)-c1ccccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H36FN3O5/c1-21(2)37-28(16-15-25(38)18-26(39)19-29(40)41)30(23-11-13-24(34)14-12-23)31(27-10-6-7-17-35-27)32(37)33(42)36-20-22-8-4-3-5-9-22/h3-14,17,21,25-26,38-39H,15-16,18-20H2,1-2H3,(H,36,42)(H,40,41)/p-1/t25-,26-/m1/s1
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n/an/a 3.70n/an/an/an/a7.237



Pfizer Inc



Assay Description
Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...


Bioorg Med Chem 15: 5576-89 (2007)


Article DOI: 10.1016/j.bmc.2007.05.031
BindingDB Entry DOI: 10.7270/Q23J3B7G
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18381
PNG
(Pyridyl substituted pyrrole compound, 14 | sodium ...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccccc1)-c1ccccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H34FN3O5/c1-20(2)36-27(16-15-24(37)18-25(38)19-28(39)40)29(21-11-13-22(33)14-12-21)30(26-10-6-7-17-34-26)31(36)32(41)35-23-8-4-3-5-9-23/h3-14,17,20,24-25,37-38H,15-16,18-19H2,1-2H3,(H,35,41)(H,39,40)/p-1/t24-,25-/m1/s1
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n/an/a 2.40n/an/an/an/a7.237



Pfizer Inc



Assay Description
Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...


Bioorg Med Chem 15: 5576-89 (2007)


Article DOI: 10.1016/j.bmc.2007.05.031
BindingDB Entry DOI: 10.7270/Q23J3B7G
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18382
PNG
(Alkyl substituted pyrrole compound, 29f | disodium...)
Show SMILES CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(=O)NCc1ccc(cc1)C([O-])=O)-c1ccc(F)cc1
Show InChI InChI=1S/C29H33FN2O7/c1-3-32-24(13-12-22(33)14-23(34)15-25(35)36)26(19-8-10-21(30)11-9-19)17(2)27(32)28(37)31-16-18-4-6-20(7-5-18)29(38)39/h4-11,22-23,33-34H,3,12-16H2,1-2H3,(H,31,37)(H,35,36)(H,38,39)/p-2/t22-,23-/m1/s1
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n/an/a 0.850n/an/an/an/a7.237



Pfizer Inc



Assay Description
Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...


Bioorg Med Chem 15: 5576-89 (2007)


Article DOI: 10.1016/j.bmc.2007.05.031
BindingDB Entry DOI: 10.7270/Q23J3B7G
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM18374
PNG
(CHEMBL394937 | Pyrrole-based compound, 30 | sodium...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccccc1)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H35FN2O5/c1-21(2)36-28(18-17-26(37)19-27(38)20-29(39)40)30(23-13-15-24(34)16-14-23)31(22-9-5-3-6-10-22)32(36)33(41)35-25-11-7-4-8-12-25/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/p-1/t26-,27-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase


Bioorg Med Chem Lett 17: 4538-44 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.096
BindingDB Entry DOI: 10.7270/Q2SJ1K9Q
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18384
PNG
(Alkyl substituted pyrrole compound, 29c | sodium (...)
Show SMILES CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(=O)NCc1ccc(OC)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H35FN2O6/c1-4-32-25(14-11-22(33)15-23(34)16-26(35)36)27(20-7-9-21(30)10-8-20)18(2)28(32)29(37)31-17-19-5-12-24(38-3)13-6-19/h5-10,12-13,22-23,33-34H,4,11,14-17H2,1-3H3,(H,31,37)(H,35,36)/p-1/t22-,23-/m1/s1
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n/an/a 1.60n/an/an/an/a7.237



Pfizer Inc



Assay Description
Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...


Bioorg Med Chem 15: 5576-89 (2007)


Article DOI: 10.1016/j.bmc.2007.05.031
BindingDB Entry DOI: 10.7270/Q23J3B7G
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18385
PNG
(Alkyl substituted pyrrole compound, 29a | sodium (...)
Show SMILES CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C21H27FN2O5/c1-3-24-17(9-8-15(25)10-16(26)11-18(27)28)19(12(2)20(24)21(23)29)13-4-6-14(22)7-5-13/h4-7,15-16,25-26H,3,8-11H2,1-2H3,(H2,23,29)(H,27,28)/p-1/t15-,16-/m1/s1
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n/an/a 30n/an/an/an/a7.237



Pfizer Inc



Assay Description
Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...


Bioorg Med Chem 15: 5576-89 (2007)


Article DOI: 10.1016/j.bmc.2007.05.031
BindingDB Entry DOI: 10.7270/Q23J3B7G
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18386
PNG
(Alkyl substituted pyrrole compound, 29b | sodium (...)
Show SMILES CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(=O)Nc1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H31FN2O5/c1-3-30-23(14-13-21(31)15-22(32)16-24(33)34)25(18-9-11-19(28)12-10-18)17(2)26(30)27(35)29-20-7-5-4-6-8-20/h4-12,21-22,31-32H,3,13-16H2,1-2H3,(H,29,35)(H,33,34)/p-1/t21-,22-/m1/s1
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n/an/a 2.80n/an/an/an/a7.237



Pfizer Inc



Assay Description
Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...


Bioorg Med Chem 15: 5576-89 (2007)


Article DOI: 10.1016/j.bmc.2007.05.031
BindingDB Entry DOI: 10.7270/Q23J3B7G
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18387
PNG
(Alkyl substituted pyrrole compound, 29d | sodium (...)
Show SMILES CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(=O)NCc1ccc(cc1)C(=O)OC)-c1ccc(F)cc1
Show InChI InChI=1S/C30H35FN2O7/c1-4-33-25(14-13-23(34)15-24(35)16-26(36)37)27(20-9-11-22(31)12-10-20)18(2)28(33)29(38)32-17-19-5-7-21(8-6-19)30(39)40-3/h5-12,23-24,34-35H,4,13-17H2,1-3H3,(H,32,38)(H,36,37)/p-1/t23-,24-/m1/s1
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n/an/a 1.60n/an/an/an/a7.237



Pfizer Inc



Assay Description
Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...


Bioorg Med Chem 15: 5576-89 (2007)


Article DOI: 10.1016/j.bmc.2007.05.031
BindingDB Entry DOI: 10.7270/Q23J3B7G
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18383
PNG
(Alkyl substituted pyrrole compound, 29e | sodium (...)
Show SMILES CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(=O)NCc1cnc(C)cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H33FN4O5/c1-4-32-23(10-9-21(33)11-22(34)12-24(35)36)25(18-5-7-19(28)8-6-18)17(3)26(32)27(37)31-15-20-14-29-16(2)13-30-20/h5-8,13-14,21-22,33-34H,4,9-12,15H2,1-3H3,(H,31,37)(H,35,36)/p-1/t21-,22-/m1/s1
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n/an/a 4.70n/an/an/an/a7.237



Pfizer Inc



Assay Description
Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...


Bioorg Med Chem 15: 5576-89 (2007)


Article DOI: 10.1016/j.bmc.2007.05.031
BindingDB Entry DOI: 10.7270/Q23J3B7G
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 5 hits for monomerid = 18374,18378,18380,18381,18382,18383,18384,18385,18386,18387,24428,24429,24430,24432,24433
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24428
JPEG
((3R,5R)-7-[3-(4-fluorophenyl)-1-methyl-4-phenyl-5-...)
GoogleScholar
PDB
KEGG
PC cid
PC sid
-10.53.10-13.77.587.2030



Boehringer Ingelheim Pharmaceuticals Inc





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24429
JPEG
((3R,5R)-7-[3-(4-fluorophenyl)-4-methyl-5-(phenylca...)
GoogleScholar
PDB
KEGG
PC cid
PC sid
-11.42.10-13.58.217.2030



Boehringer Ingelheim Pharmaceuticals Inc





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24430
JPEG
((3R,5R)-7-(5-{[4-(dimethylcarbamoyl)phenyl]carbamo...)
GoogleScholar
PDB
KEGG
PC cid
PC sid
-11.51.60-13.18.277.2030



Boehringer Ingelheim Pharmaceuticals Inc





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24432
JPEG
((3R,5R)-7-[3-(4-fluorophenyl)-5-{[4-(methoxycarbon...)
GoogleScholar
PDB
KEGG
PC cid
PC sid
-11.10.898-12.08.037.2030



Boehringer Ingelheim Pharmaceuticals Inc





J Med Chem 51: 3804-13 (2008)

3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)

(Homo sapiens (Human))
BDBM24433
JPEG
((3R,5R)-7-[3,4-bis(4-fluorophenyl)-1-methyl-5-(phe...)
GoogleScholar
PDB
KEGG
PC cid
PC sid
-10.90.500-11.47.847.2030



Boehringer Ingelheim Pharmaceuticals Inc





J Med Chem 51: 3804-13 (2008)