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PubMed code 16180833

Compile data set for download or QSAR
Found 4 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
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50250483
PNG
((-)-anthrabenzoxocinone | CHEMBL465148)
Show SMILES Cc1cc(O)cc2O[C@@]3(C)Cc4cc5c(C(=O)c6c(O)cc(O)cc6C5(C)C)c(O)c4[C@H](O3)c12 |r|
Show InChI InChI=1S/C27H24O7/c1-11-5-13(28)9-18-19(11)25-20-12(10-27(4,33-18)34-25)6-15-22(23(20)31)24(32)21-16(26(15,2)3)7-14(29)8-17(21)30/h5-9,25,28-31H,10H2,1-4H3/t25?,27-/m1/s1
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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H2]F3-methyl AA from LXRalpha by scintillation proximity assay


J Nat Prod 68: 1437-40 (2005)


Article DOI: 10.1021/np050176k
BindingDB Entry DOI: 10.7270/Q270816X
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50250483
PNG
((-)-anthrabenzoxocinone | CHEMBL465148)
Show SMILES Cc1cc(O)cc2O[C@@]3(C)Cc4cc5c(C(=O)c6c(O)cc(O)cc6C5(C)C)c(O)c4[C@H](O3)c12 |r|
Show InChI InChI=1S/C27H24O7/c1-11-5-13(28)9-18-19(11)25-20-12(10-27(4,33-18)34-25)6-15-22(23(20)31)24(32)21-16(26(15,2)3)7-14(29)8-17(21)30/h5-9,25,28-31H,10H2,1-4H3/t25?,27-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H2]F3-methyl AA from LXRbeta by scintillation proximity assay


J Nat Prod 68: 1437-40 (2005)


Article DOI: 10.1021/np050176k
BindingDB Entry DOI: 10.7270/Q270816X
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50250484
PNG
((-)-bischloroanthrabenzoxocinone | CHEMBL463906)
Show SMILES COc1cc(C)c2[C@H]3O[C@](C)(Cc4cc5c(C(=O)c6c(O)c(Cl)c(O)c(Cl)c6C5(C)C)c(O)c34)Oc2c1 |r|
Show InChI InChI=1S/C28H24Cl2O7/c1-10-6-12(35-5)8-14-15(10)26-16-11(9-28(4,36-14)37-26)7-13-17(22(16)31)23(32)18-19(27(13,2)3)20(29)25(34)21(30)24(18)33/h6-8,26,31,33-34H,9H2,1-5H3/t26?,28-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H2]F3-methyl AA from LXRalpha by scintillation proximity assay


J Nat Prod 68: 1437-40 (2005)


Article DOI: 10.1021/np050176k
BindingDB Entry DOI: 10.7270/Q270816X
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50250484
PNG
((-)-bischloroanthrabenzoxocinone | CHEMBL463906)
Show SMILES COc1cc(C)c2[C@H]3O[C@](C)(Cc4cc5c(C(=O)c6c(O)c(Cl)c(O)c(Cl)c6C5(C)C)c(O)c34)Oc2c1 |r|
Show InChI InChI=1S/C28H24Cl2O7/c1-10-6-12(35-5)8-14-15(10)26-16-11(9-28(4,36-14)37-26)7-13-17(22(16)31)23(32)18-19(27(13,2)3)20(29)25(34)21(30)24(18)33/h6-8,26,31,33-34H,9H2,1-5H3/t26?,28-/m1/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H2]F3-methyl AA from LXRbeta by scintillation proximity assay


J Nat Prod 68: 1437-40 (2005)


Article DOI: 10.1021/np050176k
BindingDB Entry DOI: 10.7270/Q270816X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%