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PubMed code 17502145

Compile data set for download or QSAR
Found 18 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
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50212958
PNG
(4-(4-(3,4-dihydroxyphenyl)butyl)benzene-1,2-diol |...)
Show SMILES Oc1ccc(CCCCc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H18O4/c17-13-7-5-11(9-15(13)19)3-1-2-4-12-6-8-14(18)16(20)10-12/h5-10,17-20H,1-4H2
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PubMed
n/an/a 600n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 17: 4026-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.092
BindingDB Entry DOI: 10.7270/Q20Z743X
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50212959
PNG
(4-(4-p-tolylbutyl)benzene-1,2-diol | CHEMBL245942)
Show SMILES Cc1ccc(CCCCc2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C17H20O2/c1-13-6-8-14(9-7-13)4-2-3-5-15-10-11-16(18)17(19)12-15/h6-12,18-19H,2-5H2,1H3
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n/an/a 800n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 17: 4026-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.092
BindingDB Entry DOI: 10.7270/Q20Z743X
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50212960
PNG
(4-(4-(4-chlorophenyl)butyl)benzene-1,2-diol | CHEM...)
Show SMILES Oc1ccc(CCCCc2ccc(Cl)cc2)cc1O
Show InChI InChI=1S/C16H17ClO2/c17-14-8-5-12(6-9-14)3-1-2-4-13-7-10-15(18)16(19)11-13/h5-11,18-19H,1-4H2
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n/an/a 800n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 17: 4026-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.092
BindingDB Entry DOI: 10.7270/Q20Z743X
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50212956
PNG
(4-(4-phenylbutyl)benzene-1,2-diol | CHEMBL442420)
Show SMILES Oc1ccc(CCCCc2ccccc2)cc1O
Show InChI InChI=1S/C16H18O2/c17-15-11-10-14(12-16(15)18)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-12,17-18H,4-5,8-9H2
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n/an/a 800n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 17: 4026-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.092
BindingDB Entry DOI: 10.7270/Q20Z743X
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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n/an/a 900n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 17: 4026-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.092
BindingDB Entry DOI: 10.7270/Q20Z743X
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50212957
PNG
(4-(4-(3,4-dichlorophenyl)butyl)benzene-1,2-diol | ...)
Show SMILES Oc1ccc(CCCCc2ccc(Cl)c(Cl)c2)cc1O
Show InChI InChI=1S/C16H16Cl2O2/c17-13-7-5-11(9-14(13)18)3-1-2-4-12-6-8-15(19)16(20)10-12/h5-10,19-20H,1-4H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 17: 4026-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.092
BindingDB Entry DOI: 10.7270/Q20Z743X
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50212961
PNG
(5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol | ...)
Show SMILES Oc1cc2CCCC(c3ccccc3)c2cc1O |w:7.7|
Show InChI InChI=1S/C16H16O2/c17-15-9-12-7-4-8-13(14(12)10-16(15)18)11-5-2-1-3-6-11/h1-3,5-6,9-10,13,17-18H,4,7-8H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 17: 4026-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.092
BindingDB Entry DOI: 10.7270/Q20Z743X
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50212955
PNG
(4-(4-(4-hydroxyphenyl)butyl)benzene-1,2-diol | CHE...)
Show SMILES Oc1ccc(CCCCc2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C16H18O3/c17-14-8-5-12(6-9-14)3-1-2-4-13-7-10-15(18)16(19)11-13/h5-11,17-19H,1-4H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 17: 4026-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.092
BindingDB Entry DOI: 10.7270/Q20Z743X
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50212962
PNG
(4-(4-(4-methoxyphenyl)butyl)benzene-1,2-diol | CHE...)
Show SMILES COc1ccc(CCCCc2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C17H20O3/c1-20-15-9-6-13(7-10-15)4-2-3-5-14-8-11-16(18)17(19)12-14/h6-12,18-19H,2-5H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 17: 4026-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.092
BindingDB Entry DOI: 10.7270/Q20Z743X
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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n/an/a 3.80E+3n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of 15 LOX


Bioorg Med Chem Lett 17: 4026-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.092
BindingDB Entry DOI: 10.7270/Q20Z743X
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50212958
PNG
(4-(4-(3,4-dihydroxyphenyl)butyl)benzene-1,2-diol |...)
Show SMILES Oc1ccc(CCCCc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H18O4/c17-13-7-5-11(9-15(13)19)3-1-2-4-12-6-8-14(18)16(20)10-12/h5-10,17-20H,1-4H2
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n/an/a 3.90E+3n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of 15 LOX


Bioorg Med Chem Lett 17: 4026-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.092
BindingDB Entry DOI: 10.7270/Q20Z743X
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50212956
PNG
(4-(4-phenylbutyl)benzene-1,2-diol | CHEMBL442420)
Show SMILES Oc1ccc(CCCCc2ccccc2)cc1O
Show InChI InChI=1S/C16H18O2/c17-15-11-10-14(12-16(15)18)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-12,17-18H,4-5,8-9H2
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n/an/a 7.30E+3n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of 15 LOX


Bioorg Med Chem Lett 17: 4026-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.092
BindingDB Entry DOI: 10.7270/Q20Z743X
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50212955
PNG
(4-(4-(4-hydroxyphenyl)butyl)benzene-1,2-diol | CHE...)
Show SMILES Oc1ccc(CCCCc2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C16H18O3/c17-14-8-5-12(6-9-14)3-1-2-4-13-7-10-15(18)16(19)11-13/h5-11,17-19H,1-4H2
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n/an/a 9.40E+3n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of 15 LOX


Bioorg Med Chem Lett 17: 4026-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.092
BindingDB Entry DOI: 10.7270/Q20Z743X
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50212962
PNG
(4-(4-(4-methoxyphenyl)butyl)benzene-1,2-diol | CHE...)
Show SMILES COc1ccc(CCCCc2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C17H20O3/c1-20-15-9-6-13(7-10-15)4-2-3-5-14-8-11-16(18)17(19)12-14/h6-12,18-19H,2-5H2,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of 15 LOX


Bioorg Med Chem Lett 17: 4026-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.092
BindingDB Entry DOI: 10.7270/Q20Z743X
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50212960
PNG
(4-(4-(4-chlorophenyl)butyl)benzene-1,2-diol | CHEM...)
Show SMILES Oc1ccc(CCCCc2ccc(Cl)cc2)cc1O
Show InChI InChI=1S/C16H17ClO2/c17-14-8-5-12(6-9-14)3-1-2-4-13-7-10-15(18)16(19)11-13/h5-11,18-19H,1-4H2
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n/an/a 1.50E+4n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of 15 LOX


Bioorg Med Chem Lett 17: 4026-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.092
BindingDB Entry DOI: 10.7270/Q20Z743X
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50212959
PNG
(4-(4-p-tolylbutyl)benzene-1,2-diol | CHEMBL245942)
Show SMILES Cc1ccc(CCCCc2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C17H20O2/c1-13-6-8-14(9-7-13)4-2-3-5-15-10-11-16(18)17(19)12-15/h6-12,18-19H,2-5H2,1H3
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n/an/a 2.16E+4n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of 15 LOX


Bioorg Med Chem Lett 17: 4026-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.092
BindingDB Entry DOI: 10.7270/Q20Z743X
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50212957
PNG
(4-(4-(3,4-dichlorophenyl)butyl)benzene-1,2-diol | ...)
Show SMILES Oc1ccc(CCCCc2ccc(Cl)c(Cl)c2)cc1O
Show InChI InChI=1S/C16H16Cl2O2/c17-13-7-5-11(9-14(13)18)3-1-2-4-12-6-8-15(19)16(20)10-12/h5-10,19-20H,1-4H2
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n/an/a 3.36E+4n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of 15 LOX


Bioorg Med Chem Lett 17: 4026-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.092
BindingDB Entry DOI: 10.7270/Q20Z743X
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50212961
PNG
(5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol | ...)
Show SMILES Oc1cc2CCCC(c3ccccc3)c2cc1O |w:7.7|
Show InChI InChI=1S/C16H16O2/c17-15-9-12-7-4-8-13(14(12)10-16(15)18)11-5-2-1-3-6-11/h1-3,5-6,9-10,13,17-18H,4,7-8H2
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n/an/a 3.86E+4n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of 15 LOX


Bioorg Med Chem Lett 17: 4026-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.092
BindingDB Entry DOI: 10.7270/Q20Z743X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%