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Articleid 50028963

Compile data set for download or QSAR
Found 3 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))		BDBM50280409
PNG
((3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-Dimethyl-8-((R)-2...)
Show SMILES CC[C@@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12 |c:13,t:11|
Show InChI InChI=1S/C24H38O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28)/t14-,15+,16-,18+,19+,20-,21-,23-/m0/s1
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UniChem

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Article
n/an/a 3.69E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for Inhibition of rat hepatic microsomal HMG-CoA reductase.

Bioorg Med Chem Lett 2: 285-290 (1992)


Article DOI: 10.1016/S0960-894X(01)80201-8
BindingDB Entry DOI: 10.7270/Q24Q7TWB
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM50280408
PNG
(CHEMBL3138233 | Sodium; (R)-7-[(3R,5S,7R,10S,12S,1...)
Show SMILES [Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](OC(=O)C(C)(C)C)[C@]12C)[C@H](C)CC(O)CC(O)CC([O-])=O
Show InChI InChI=1S/C32H54O8.Na/c1-17(11-20(34)14-21(35)15-27(37)38)22-7-8-23-28-24(16-26(32(22,23)6)40-29(39)30(2,3)4)31(5)10-9-19(33)12-18(31)13-25(28)36;/h17-26,28,33-36H,7-16H2,1-6H3,(H,37,38);/q;+1/p-1/t17-,18+,19-,20?,21?,22-,23+,24+,25-,26+,28+,31+,32-;/m1./s1
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n/an/a 1.23E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for Inhibition of rat hepatic microsomal HMG-CoA reductase.

Bioorg Med Chem Lett 2: 285-290 (1992)


Article DOI: 10.1016/S0960-894X(01)80201-8
BindingDB Entry DOI: 10.7270/Q24Q7TWB
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM50280410
PNG
(CHEMBL3138409 | Sodium; (R)-3,5-dihydroxy-7-((3R,5...)
Show SMILES [Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)OC(C)=O)[C@H](C)CC(O)CC(O)CC([O-])=O
Show InChI InChI=1S/C33H52O10.Na/c1-17(11-22(37)14-23(38)15-30(39)40)25-7-8-26-31-27(16-29(33(25,26)6)43-20(4)36)32(5)10-9-24(41-18(2)34)12-21(32)13-28(31)42-19(3)35;/h17,21-29,31,37-38H,7-16H2,1-6H3,(H,39,40);/q;+1/p-1/t17-,21+,22?,23?,24-,25-,26+,27+,28-,29+,31+,32+,33-;/m1./s1
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n/an/a 3.92E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for Inhibition of rat hepatic microsomal HMG-CoA reductase.

Bioorg Med Chem Lett 2: 285-290 (1992)


Article DOI: 10.1016/S0960-894X(01)80201-8
BindingDB Entry DOI: 10.7270/Q24Q7TWB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%