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PubMed code 3701793

Compile data set for download or QSAR
Found 8 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
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50024974
PNG
(4-Hydroxy-6-[2-(3,5,3'',5''-tetramethyl-biphenyl-2...)
Show SMILES Cc1cc(C)cc(c1)-c1cc(C)cc(C)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
Show InChI InChI=1S/C23H26O3/c1-14-7-15(2)10-18(9-14)22-11-16(3)8-17(4)21(22)6-5-20-12-19(24)13-23(25)26-20/h5-11,19-20,24H,12-13H2,1-4H3/b6-5+/t19-,20-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit rat liver HMG-CoA reductase


J Med Chem 29: 852-5 (1986)


BindingDB Entry DOI: 10.7270/Q22F7MFN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50024972
PNG
((+) 6-[2-(3,5-Dichloro-4''-fluoro-biphenyl-2-yl)-v...)
Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H15Cl2FO3/c20-12-7-17(11-1-3-13(22)4-2-11)16(18(21)8-12)6-5-15-9-14(23)10-19(24)25-15/h1-8,14-15,23H,9-10H2/b6-5+/t14-,15-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit rat liver HMG-CoA reductase


J Med Chem 29: 852-5 (1986)


BindingDB Entry DOI: 10.7270/Q22F7MFN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50024973
PNG
(6-[2-(3,5-Dichloro-biphenyl-2-yl)-vinyl]-4-hydroxy...)
Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(Cl)cc(Cl)cc1-c1ccccc1
Show InChI InChI=1S/C19H16Cl2O3/c20-13-8-17(12-4-2-1-3-5-12)16(18(21)9-13)7-6-15-10-14(22)11-19(23)24-15/h1-9,14-15,22H,10-11H2/b7-6+/t14-,15-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit rat liver HMG-CoA reductase


J Med Chem 29: 852-5 (1986)


BindingDB Entry DOI: 10.7270/Q22F7MFN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50024977
PNG
(6-(1,3-Dichloro-6-fluoro-9H-fluoren-9-ylmethyl)-4-...)
Show SMILES O[C@@H]1CC(CC2c3ccc(F)cc3-c3cc(Cl)cc(Cl)c23)OC(=O)C1
Show InChI InChI=1S/C19H15Cl2FO3/c20-9-3-15-14-5-10(22)1-2-13(14)16(19(15)17(21)4-9)8-12-6-11(23)7-18(24)25-12/h1-5,11-12,16,23H,6-8H2/t11-,12?,16?/m1/s1
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n/an/a 85n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit rat liver HMG-CoA reductase


J Med Chem 29: 852-5 (1986)


BindingDB Entry DOI: 10.7270/Q22F7MFN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50024975
PNG
(6-(1,3-Dimethyl-fluoren-9-ylidenemethyl)-4-hydroxy...)
Show SMILES Cc1cc2-c3ccccc3\C(=C/[C@@H]3C[C@@H](O)CC(=O)O3)c2c(C)c1
Show InChI InChI=1S/C21H20O3/c1-12-7-13(2)21-18(8-12)16-5-3-4-6-17(16)19(21)11-15-9-14(22)10-20(23)24-15/h3-8,11,14-15,22H,9-10H2,1-2H3/b19-11+/t14-,15+/m1/s1
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n/an/a 750n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit rat liver HMG-CoA reductase


J Med Chem 29: 852-5 (1986)


BindingDB Entry DOI: 10.7270/Q22F7MFN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50024978
PNG
(4-Hydroxy-6-(1,3,5,7-tetramethyl-fluoren-9-ylidene...)
Show SMILES Cc1cc2\C(=C/[C@@H]3C[C@@H](O)CC(=O)O3)c3c(cc(C)cc3C)-c2c(C)c1
Show InChI InChI=1S/C23H24O3/c1-12-5-14(3)22-18(7-12)19(11-17-9-16(24)10-21(25)26-17)23-15(4)6-13(2)8-20(22)23/h5-8,11,16-17,24H,9-10H2,1-4H3/b19-11+/t16-,17+/m1/s1
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n/an/a 830n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit rat liver HMG-CoA reductase


J Med Chem 29: 852-5 (1986)


BindingDB Entry DOI: 10.7270/Q22F7MFN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50024971
PNG
(6-Fluoren-9-ylidenemethyl-4-hydroxy-tetrahydro-pyr...)
Show SMILES [#8]-[#6@@H]-1-[#6]-[#6@H](-[#8]-[#6](=O)-[#6]-1)\[#6]=[#6]-1/c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C19H16O3/c20-12-9-13(22-19(21)10-12)11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,11-13,20H,9-10H2/t12-,13+/m1/s1
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n/an/a 890n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit rat liver HMG-CoA reductase


J Med Chem 29: 852-5 (1986)


BindingDB Entry DOI: 10.7270/Q22F7MFN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50024976
PNG
(6-(2-Biphenyl-2-yl-vinyl)-4-hydroxy-tetrahydro-pyr...)
Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H18O3/c20-16-12-17(22-19(21)13-16)11-10-15-8-4-5-9-18(15)14-6-2-1-3-7-14/h1-11,16-17,20H,12-13H2/b11-10+/t16-,17-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit rat liver HMG-CoA reductase


J Med Chem 29: 852-5 (1986)


BindingDB Entry DOI: 10.7270/Q22F7MFN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%