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Compile Data Set for Download or QSAR

Found 172 hits with Last Name = 'martinez' and Initial = 'y'   
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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50171394
PNG
(2-Decyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine | CH...)
Show SMILES CCCCCCCCCCn1cc2c(N)ncnc2n1
Show InChI InChI=1S/C15H25N5/c1-2-3-4-5-6-7-8-9-10-20-11-13-14(16)17-12-18-15(13)19-20/h11-12H,2-10H2,1H3,(H2,16,17,18,19)
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0.130n/an/an/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50171396
PNG
(1-((R)-4-Amino-pyrazolo[3,4-d]pyrimidin-2-yl)-deca...)
Show SMILES CCCCCCCCC(O)Cn1cc2c(N)ncnc2n1
Show InChI InChI=1S/C15H25N5O/c1-2-3-4-5-6-7-8-12(21)9-20-10-13-14(16)17-11-18-15(13)19-20/h10-12,21H,2-9H2,1H3,(H2,16,17,18,19)
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0.280n/an/an/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50213599
PNG
((6aR,10aR)-3-(6-bromo-2-methylhexan-2-yl)-6,6,9-tr...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCBr |t:1|
Show InChI InChI=1S/C23H33BrO2/c1-15-8-9-18-17(12-15)21-19(25)13-16(14-20(21)26-23(18,4)5)22(2,3)10-6-7-11-24/h8,13-14,17-18,25H,6-7,9-12H2,1-5H3/t17-,18-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50171395
PNG
(2-Undecyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine | ...)
Show SMILES CCCCCCCCCCCn1cc2c(N)ncnc2n1
Show InChI InChI=1S/C16H27N5/c1-2-3-4-5-6-7-8-9-10-11-21-12-14-15(17)18-13-19-16(14)20-21/h12-13H,2-11H2,1H3,(H2,17,18,19,20)
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0.470n/an/an/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50337798
PNG
((6aR,10aR)-3-(8-bromo-2-methyloctan-2-yl)-6,6,9-tr...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCCCBr |r,t:1|
Show InChI InChI=1S/C25H37BrO2/c1-17-10-11-20-19(14-17)23-21(27)15-18(16-22(23)28-25(20,4)5)24(2,3)12-8-6-7-9-13-26/h10,15-16,19-20,27H,6-9,11-14H2,1-5H3/t19-,20-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50171393
PNG
(2-Nonyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine | CH...)
Show SMILES CCCCCCCCCn1cc2c(N)ncnc2n1
Show InChI InChI=1S/C14H23N5/c1-2-3-4-5-6-7-8-9-19-10-12-13(15)16-11-17-14(12)18-19/h10-11H,2-9H2,1H3,(H2,15,16,17,18)
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8n/an/an/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50337797
PNG
((6aR,10aR)-3-(5-bromopentyl)-6,6,9-trimethyl-6a,7,...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CCCCCBr)cc1OC2(C)C |r,t:1|
Show InChI InChI=1S/C21H29BrO2/c1-14-8-9-17-16(11-14)20-18(23)12-15(7-5-4-6-10-22)13-19(20)24-21(17,2)3/h8,12-13,16-17,23H,4-7,9-11H2,1-3H3/t16-,17-/m1/s1
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8n/an/an/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50337796
PNG
((6aR,10aR)-3-(4-bromobutyl)-6,6,9-trimethyl-6a,7,1...)
Show SMILES CC1=C[C@@H]2[C@@H](CC1)C(C)(C)Oc1cc(CCCCBr)cc(O)c21 |r,t:1|
Show InChI InChI=1S/C20H27BrO2/c1-13-7-8-16-15(10-13)19-17(22)11-14(6-4-5-9-21)12-18(19)23-20(16,2)3/h10-12,15-16,22H,4-9H2,1-3H3/t15-,16-/m1/s1
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24n/an/an/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50337799
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(5,5,5-trifluoropenty...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CCCCC(F)(F)F)cc1OC2(C)C |r,t:1|
Show InChI InChI=1S/C21H27F3O2/c1-13-7-8-16-15(10-13)19-17(25)11-14(6-4-5-9-21(22,23)24)12-18(19)26-20(16,2)3/h7,11-12,15-16,25H,4-6,8-10H2,1-3H3/t15-,16-/m1/s1
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25n/an/an/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50337803
PNG
(3-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-2-yl)nonan-...)
Show SMILES CCCCCCC(C(C)O)n1cc2c(N)ncnc2n1
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-12(10(2)20)19-8-11-13(15)16-9-17-14(11)18-19/h8-10,12,20H,3-7H2,1-2H3,(H2,15,16,17,18)
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53n/an/an/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50337800
PNG
((6aR,10aR)-9-(fluoromethyl)-6,6-dimethyl-3-pentyl-...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(CF)=CC[C@H]3C(C)(C)Oc2c1 |r,c:14|
Show InChI InChI=1S/C21H29FO2/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h8,11-12,16-17,23H,4-7,9-10,13H2,1-3H3/t16-,17-/m1/s1
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103n/an/an/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50337795
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(octan-2-yl)-6a,7,10,...)
Show SMILES CCCCCCC(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:16|
Show InChI InChI=1S/C24H36O2/c1-6-7-8-9-10-17(3)18-14-21(25)23-19-13-16(2)11-12-20(19)24(4,5)26-22(23)15-18/h11,14-15,17,19-20,25H,6-10,12-13H2,1-5H3/t17?,19-,20-/m1/s1
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328n/an/an/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50171387
PNG
(2-Octyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine | CH...)
Show SMILES CCCCCCCCn1cc2c(N)ncnc2n1
Show InChI InChI=1S/C13H21N5/c1-2-3-4-5-6-7-8-18-9-11-12(14)15-10-16-13(11)17-18/h9-10H,2-8H2,1H3,(H2,14,15,16,17)
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530n/an/an/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50171391
PNG
(2-Heptyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine | C...)
Show SMILES CCCCCCCn1cc2c(N)ncnc2n1
Show InChI InChI=1S/C12H19N5/c1-2-3-4-5-6-7-17-8-10-11(13)14-9-15-12(10)16-17/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
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818n/an/an/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50337802
PNG
(2-Dodecyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine | ...)
Show SMILES CCCCCCCCCCCCn1cc2c(N)ncnc2n1
Show InChI InChI=1S/C17H29N5/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-15-16(18)19-14-20-17(15)21-22/h13-14H,2-12H2,1H3,(H2,18,19,20,21)
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>1.00E+3n/an/an/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50337801
PNG
(2-Hexyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine | 2-...)
Show SMILES CCCCCCn1cc2c(N)ncnc2n1
Show InChI InChI=1S/C11H17N5/c1-2-3-4-5-6-16-7-9-10(12)13-8-14-11(9)15-16/h7-8H,2-6H2,1H3,(H2,12,13,14,15)
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>1.00E+3n/an/an/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50337804
PNG
(5-(7-(benzyloxy)quinazolin-4-ylamino)-4-fluoro-2-m...)
Show SMILES Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O
Show InChI InChI=1S/C22H18FN3O2/c1-14-9-18(23)20(11-21(14)27)26-22-17-8-7-16(10-19(17)24-13-25-22)28-12-15-5-3-2-4-6-15/h2-11,13,27H,12H2,1H3,(H,24,25,26)
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n/an/a 2n/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption by ELISA assay in presence of 20 uM ATP


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5432
PNG
(6-(4-methoxyphenyl)-3-(thiophen-3-yl)pyrazolo[1,5-...)
Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccsc1
Show InChI InChI=1S/C17H13N3OS/c1-21-15-4-2-12(3-5-15)14-8-18-17-16(9-19-20(17)10-14)13-6-7-22-11-13/h2-11H,1H3
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n/an/a 19n/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption by ELISA assay in presence of 20 uM ATP


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222276
PNG
(6,7-dihydroxy-4'-methoxyisoflavan | CHEMBL239247)
Show SMILES COc1ccc(cc1)C1COc2cc(O)c(O)cc2C1 |w:8.8|
Show InChI InChI=1S/C16H16O4/c1-19-13-4-2-10(3-5-13)12-6-11-7-14(17)15(18)8-16(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3
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n/an/a 150n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222295
PNG
(6,7-dihydroxy-3-m-tolyl-2,3-dihydrochromen-4-one |...)
Show SMILES Cc1cccc(c1)C1COc2cc(O)c(O)cc2C1=O
Show InChI InChI=1S/C16H14O4/c1-9-3-2-4-10(5-9)12-8-20-15-7-14(18)13(17)6-11(15)16(12)19/h2-7,12,17-18H,8H2,1H3
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n/an/a 210n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222277
PNG
(6,7-dihydroxy-3'-methylisoflavan | CHEMBL239893)
Show SMILES Cc1cccc(c1)C1COc2cc(O)c(O)cc2C1 |w:7.7|
Show InChI InChI=1S/C16H16O3/c1-10-3-2-4-11(5-10)13-6-12-7-14(17)15(18)8-16(12)19-9-13/h2-5,7-8,13,17-18H,6,9H2,1H3
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n/an/a 210n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM32020
PNG
(4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...)
Show SMILES CC(Cc1ccc(O)c(O)c1)C(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
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n/an/a 250n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222307
PNG
(6,7-dihydroxy-3',4'-methylenedioxyisoflavan | CHEM...)
Show SMILES Oc1cc2CC(COc2cc1O)c1ccc2OCOc2c1 |w:5.13|
Show InChI InChI=1S/C16H14O5/c17-12-4-10-3-11(7-19-15(10)6-13(12)18)9-1-2-14-16(5-9)21-8-20-14/h1-2,4-6,11,17-18H,3,7-8H2
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n/an/a 350n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 440n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222293
PNG
(4'-chloro-7,8-dihydroxyisoflavone | CHEMBL241814)
Show SMILES Oc1ccc2c(occ(-c3ccc(Cl)cc3)c2=O)c1O
Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,17,19H
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n/an/a 480n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50139862
PNG
(3-(4-Hydroxy-phenyl)-chroman-6,7-diol | 4',6,7-tri...)
Show SMILES Oc1ccc(cc1)C1COc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C15H14O4/c16-12-3-1-9(2-4-12)11-5-10-6-13(17)14(18)7-15(10)19-8-11/h1-4,6-7,11,16-18H,5,8H2
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n/an/a 510n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222308
PNG
(7,8-dihydroxy-30-trifluoromethylisoflavone | CHEMB...)
Show SMILES Oc1ccc2c(occ(-c3cccc(c3)C(F)(F)F)c2=O)c1O
Show InChI InChI=1S/C16H9F3O4/c17-16(18,19)9-3-1-2-8(6-9)11-7-23-15-10(13(11)21)4-5-12(20)14(15)22/h1-7,20,22H
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n/an/a 620n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222290
PNG
(3'-chloro-7,8-dihydroxyisoflavone | CHEMBL241815 |...)
Show SMILES Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O
Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(6-9)11-7-20-15-10(13(11)18)4-5-12(17)14(15)19/h1-7,17,19H
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n/an/a 780n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4620
PNG
(Anilinoquinazoline deriv. 3 | N-(4-chlorophenyl)-6...)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-10(17)4-6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 800n/an/an/an/an/an/a



Chaminade University of Honolulu

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption by ELISA assay in presence of 20 uM ATP


Bioorg Med Chem Lett 21: 1371-5 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.037
BindingDB Entry DOI: 10.7270/Q21J9B1F
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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n/an/a 860n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
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n/an/a 950n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
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n/an/a 1.40E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222309
PNG
(6,7-dihydroxy-4'-methoxyisoflavanone | CHEMBL23903...)
Show SMILES COc1ccc(cc1)C1COc2cc(O)c(O)cc2C1=O
Show InChI InChI=1S/C16H14O5/c1-20-10-4-2-9(3-5-10)12-8-21-15-7-14(18)13(17)6-11(15)16(12)19/h2-7,12,17-18H,8H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222297
PNG
(7,8-dihydroxy-4'-methylisoflavone | CHEMBL395449 |...)
Show SMILES Cc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O
Show InChI InChI=1S/C16H12O4/c1-9-2-4-10(5-3-9)12-8-20-16-11(14(12)18)6-7-13(17)15(16)19/h2-8,17,19H,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM32020
PNG
(4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...)
Show SMILES CC(Cc1ccc(O)c(O)c1)C(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
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n/an/a 2.60E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222291
PNG
(3,5,-Dihydroxyflavone | 3,5-dihydroxy-2-phenyl-4H-...)
Show SMILES Oc1cccc2oc(-c3ccccc3)c(O)c(=O)c12
Show InChI InChI=1S/C15H10O4/c16-10-7-4-8-11-12(10)13(17)14(18)15(19-11)9-5-2-1-3-6-9/h1-8,16,18H
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n/an/a 3.30E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222284
PNG
(7,8-dihydroxy-3'-methylisoflavone | CHEMBL238843 |...)
Show SMILES Cc1cccc(c1)-c1coc2c(O)c(O)ccc2c1=O
Show InChI InChI=1S/C16H12O4/c1-9-3-2-4-10(7-9)12-8-20-16-11(14(12)18)5-6-13(17)15(16)19/h2-8,17,19H,1H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222285
PNG
(7,8-dihydroxy-4'-methoxyisoflavan | CHEMBL391342)
Show SMILES Cc1ccc(cc1)C1COc2c(C1)ccc(O)c2O |w:7.7|
Show InChI InChI=1S/C16H16O3/c1-10-2-4-11(5-3-10)13-8-12-6-7-14(17)15(18)16(12)19-9-13/h2-7,13,17-18H,8-9H2,1H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222296
PNG
(4',6,7-trihydroxyisoflavanone | CHEMBL239032)
Show SMILES Oc1ccc(cc1)C1COc2cc(O)c(O)cc2C1=O
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-6,11,16-18H,7H2
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n/an/a 3.80E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222301
PNG
(7,8-dihydroxy-4'-methylisoflavan | CHEMBL391341)
Show SMILES COc1ccc(cc1)C1COc2c(C1)ccc(O)c2O |w:8.8|
Show InChI InChI=1S/C16H16O4/c1-19-13-5-2-10(3-6-13)12-8-11-4-7-14(17)15(18)16(11)20-9-12/h2-7,12,17-18H,8-9H2,1H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222279
PNG
(6,7-dihydroxy-4'-nitroisoflavone | CHEMBL238821)
Show SMILES Oc1cc2occ(-c3ccc(c(O)c3)[N+]([O-])=O)c(=O)c2cc1O
Show InChI InChI=1S/C15H9NO7/c17-11-3-7(1-2-10(11)16(21)22)9-6-23-14-5-13(19)12(18)4-8(14)15(9)20/h1-6,17-19H
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n/an/a 5.80E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222290
PNG
(3'-chloro-7,8-dihydroxyisoflavone | CHEMBL241815 |...)
Show SMILES Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O
Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(6-9)11-7-20-15-10(13(11)18)4-5-12(17)14(15)19/h1-7,17,19H
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n/an/a 6.20E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222278
PNG
(7,8-dihydroxyisoflavone | CHEMBL241813)
Show SMILES Oc1ccc2c(occ(-c3ccccc3)c2=O)c1O
Show InChI InChI=1S/C15H10O4/c16-12-7-6-10-13(17)11(8-19-15(10)14(12)18)9-4-2-1-3-5-9/h1-8,16,18H
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n/an/a 6.40E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222276
PNG
(6,7-dihydroxy-4'-methoxyisoflavan | CHEMBL239247)
Show SMILES COc1ccc(cc1)C1COc2cc(O)c(O)cc2C1 |w:8.8|
Show InChI InChI=1S/C16H16O4/c1-19-13-4-2-10(3-5-13)12-6-11-7-14(17)15(18)8-16(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222297
PNG
(7,8-dihydroxy-4'-methylisoflavone | CHEMBL395449 |...)
Show SMILES Cc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O
Show InChI InChI=1S/C16H12O4/c1-9-2-4-10(5-3-9)12-8-20-16-11(14(12)18)6-7-13(17)15(16)19/h2-8,17,19H,1H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222308
PNG
(7,8-dihydroxy-30-trifluoromethylisoflavone | CHEMB...)
Show SMILES Oc1ccc2c(occ(-c3cccc(c3)C(F)(F)F)c2=O)c1O
Show InChI InChI=1S/C16H9F3O4/c17-16(18,19)9-3-1-2-8(6-9)11-7-23-15-10(13(11)21)4-5-12(20)14(15)22/h1-7,20,22H
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n/an/a 8.30E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222277
PNG
(6,7-dihydroxy-3'-methylisoflavan | CHEMBL239893)
Show SMILES Cc1cccc(c1)C1COc2cc(O)c(O)cc2C1 |w:7.7|
Show InChI InChI=1S/C16H16O3/c1-10-3-2-4-11(5-10)13-6-12-7-14(17)15(18)8-16(12)19-9-13/h2-5,7-8,13,17-18H,6,9H2,1H3
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n/an/a 8.30E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222303
PNG
(4',6,7,-trihydroxyisoflavone | 4',6,7-trihydroxyis...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)c(O)cc2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H
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n/an/a 8.70E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222293
PNG
(4'-chloro-7,8-dihydroxyisoflavone | CHEMBL241814)
Show SMILES Oc1ccc2c(occ(-c3ccc(Cl)cc3)c2=O)c1O
Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,17,19H
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n/an/a 9.00E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
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