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Compile Data Set for Download or QSAR

Found 208 hits from Dongguk University-Seoul   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50400094
PNG
(CHEMBL427092)
Show SMILES COC(=O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C26H29NO5/c1-31-25(30)19-2-7-23(28)22(11-19)27-24(29)15-32-21-5-3-20(4-6-21)26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18,28H,8-10,12-15H2,1H3,(H,27,29)
PDB
MMDB

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1.90E+3n/an/an/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Competitive inhibition of MDH2 (unknown origin) using varying NADH level by oxaloacetate-dependent NADH oxidation based Lineweaver-Burk plot


J Med Chem 57: 9522-38 (2014)


Article DOI: 10.1021/jm501241g
BindingDB Entry DOI: 10.7270/Q2N87CCD
More data for this
Ligand-Target Pair
Malate dehydrogenase, mitochondrial


(Homo sapiens)
BDBM50031520
PNG
(CHEMBL3359147)
Show SMILES Oc1ccc(cc1NC(=O)COc1ccc(cc1C1(N=N1)C(F)(F)F)C12CC3CC(CC(C3)C1)C2)C(=O)OCC#C
Show InChI InChI=1S/C30H28F3N3O5/c1-2-7-40-27(39)20-3-5-24(37)23(11-20)34-26(38)16-41-25-6-4-21(12-22(25)29(35-36-29)30(31,32)33)28-13-17-8-18(14-28)10-19(9-17)15-28/h1,3-6,11-12,17-19,37H,7-10,13-16H2,(H,34,38)
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4.30E+3n/an/an/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Competitive inhibition of MDH2 (unknown origin) using varying NADH level by oxaloacetate-dependent NADH oxidation based Lineweaver-Burk plot


J Med Chem 57: 9522-38 (2014)


Article DOI: 10.1021/jm501241g
BindingDB Entry DOI: 10.7270/Q2N87CCD
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 alpha


(Homo sapiens (Human))
BDBM50179011
PNG
(CHEMBL380456 | Moracin P)
Show SMILES CC1(C)Oc2cc3oc(cc3cc2CC1O)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3
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n/an/a 0.650n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI-mediated trans-2-octenoyl N-acetylcysteamine (t-o-NAC thioester) substrate reduction assessed as decrease in...


Eur J Med Chem 90: 379-93 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.047
BindingDB Entry DOI: 10.7270/Q2GF0W5F
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50346783
PNG
(CHEMBL1795446)
Show SMILES CC(C)(O)[C@H]1Cc2cc3cc(oc3cc2O1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H18O4/c1-19(2,21)18-9-13-7-12-8-15(11-3-5-14(20)6-4-11)22-16(12)10-17(13)23-18/h3-8,10,18,20-21H,9H2,1-2H3/t18-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50401029
PNG
(CHEMBL2205734)
Show SMILES Cc1cc(nn1Cc1ccc(C)cc1)-c1nc2cc(ccc2[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN4/c1-16-3-5-18(6-4-16)15-30-17(2)13-24(29-30)25-27-22-12-9-20(14-23(22)28-25)19-7-10-21(26)11-8-19/h3-14H,15H2,1-2H3,(H,27,28)
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n/an/a 3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of HIF-1alpha in human HCT116 cells under hypoxia condition by HRE-luciferase reporter gene assay


Eur J Med Chem 49: 24-40 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.033
BindingDB Entry DOI: 10.7270/Q26D5V4N
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50346783
PNG
(CHEMBL1795446)
Show SMILES CC(C)(O)[C@H]1Cc2cc3cc(oc3cc2O1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H18O4/c1-19(2,21)18-9-13-7-12-8-15(11-3-5-14(20)6-4-11)22-16(12)10-17(13)23-18/h3-8,10,18,20-21H,9H2,1-2H3/t18-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50179013
PNG
(CHEMBL205924 | moracin O)
Show SMILES CC(C)(O)C1Cc2cc3cc(oc3cc2O1)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C19H18O5/c1-19(2,22)18-7-11-3-10-6-15(23-16(10)9-17(11)24-18)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3
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n/an/a 6.76n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50346796
PNG
(CHEMBL1795432)
Show SMILES CC(C)(O)[C@H]1Cc2cc3cc(oc3cc2O1)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C19H18O5/c1-19(2,22)18-7-11-3-10-6-15(23-16(10)9-17(11)24-18)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3/t18-/m1/s1
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n/an/a 6.76n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50346790
PNG
(CHEMBL1795439)
Show SMILES COc1cccc(c1)-c1cc2cc3CC(Oc3cc2o1)C(C)(C)O
Show InChI InChI=1S/C20H20O4/c1-20(2,21)19-10-14-7-13-9-16(23-17(13)11-18(14)24-19)12-5-4-6-15(8-12)22-3/h4-9,11,19,21H,10H2,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50423773
PNG
(A-1544750 | CEP-701 | KT-5555 | LESTAURTINIB | SP9...)
Show SMILES C[C@]12O[C@@H](C[C@@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18?,25-,26+/m0/s1
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MMDB

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n/an/a 8.20n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1768-70 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.049
BindingDB Entry DOI: 10.7270/Q2H70H54
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50346795
PNG
(CHEMBL1795433)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cc3CC(Oc3cc2o1)C(C)(C)O
Show InChI InChI=1S/C21H22O5/c1-21(2,22)20-9-13-5-12-8-17(25-18(12)11-19(13)26-20)14-6-15(23-3)10-16(7-14)24-4/h5-8,10-11,20,22H,9H2,1-4H3
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n/an/a 10n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50179011
PNG
(CHEMBL380456 | Moracin P)
Show SMILES CC1(C)Oc2cc3oc(cc3cc2CC1O)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3
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n/an/a 10.7n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50346784
PNG
(CHEMBL1795445)
Show SMILES Cn1cncc1-c1cc2cc3CC(Oc3cc2o1)C(C)(C)O
Show InChI InChI=1S/C17H18N2O3/c1-17(2,20)16-6-11-4-10-5-15(12-8-18-9-19(12)3)21-13(10)7-14(11)22-16/h4-5,7-9,16,20H,6H2,1-3H3
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n/an/a>30n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50315537
PNG
(CHEMBL1089316 | chaetocin)
Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21
Show InChI InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of HIF-1alpha-mediated VEGF expression in human Hep3b cells by luciferase reporter gene assay


Eur J Med Chem 49: 24-40 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.033
BindingDB Entry DOI: 10.7270/Q26D5V4N
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50346794
PNG
(CHEMBL1795434)
Show SMILES CC(C)(O)C1Cc2cc3cc(oc3cc2O1)-c1cccc(O)c1
Show InChI InChI=1S/C19H18O4/c1-19(2,21)18-9-13-6-12-8-15(11-4-3-5-14(20)7-11)22-16(12)10-17(13)23-18/h3-8,10,18,20-21H,9H2,1-2H3
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n/an/a 46n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50346793
PNG
(CHEMBL1795436)
Show SMILES CCOC(=O)COc1ccc(cc1)-c1cc2cc3CC(Oc3cc2o1)C(C)(C)O
Show InChI InChI=1S/C23H24O6/c1-4-26-22(24)13-27-17-7-5-14(6-8-17)18-10-15-9-16-11-21(23(2,3)25)29-20(16)12-19(15)28-18/h5-10,12,21,25H,4,11,13H2,1-3H3
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n/an/a 54n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50346788
PNG
(CHEMBL1795441)
Show SMILES CC(C)(O)C1Cc2cc3cc(oc3cc2O1)-c1ccccc1
Show InChI InChI=1S/C19H18O3/c1-19(2,20)18-10-14-8-13-9-15(12-6-4-3-5-7-12)21-16(13)11-17(14)22-18/h3-9,11,18,20H,10H2,1-2H3
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n/an/a 54n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50315537
PNG
(CHEMBL1089316 | chaetocin)
Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21
Show InChI InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of HIF-1alpha-mediated VEGF secretion in human Hep3b cells by ELISA


Eur J Med Chem 49: 24-40 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.033
BindingDB Entry DOI: 10.7270/Q26D5V4N
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50346789
PNG
(CHEMBL1795440)
Show SMILES COc1ccc(cc1)-c1cc2cc3CC(Oc3cc2o1)C(C)(C)O
Show InChI InChI=1S/C20H20O4/c1-20(2,21)19-10-14-8-13-9-16(23-17(13)11-18(14)24-19)12-4-6-15(22-3)7-5-12/h4-9,11,19,21H,10H2,1-3H3
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n/an/a 110n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50400081
PNG
(CHEMBL2178399)
Show SMILES O=C(Nc1cccc(c1)C(=O)OCCN1CCOCC1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C32H38N2O5/c35-30(33-28-3-1-2-26(19-28)31(36)39-15-11-34-9-13-37-14-10-34)8-12-38-29-6-4-27(5-7-29)32-20-23-16-24(21-32)18-25(17-23)22-32/h1-8,12,19,23-25H,9-11,13-18,20-22H2,(H,33,35)/b12-8+
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n/an/a 120n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of HIF1alpha in human HCT116 cells under hypoxic condition after 16 hrs by dual luciferase reporter gene assay


J Med Chem 55: 10564-71 (2012)


Article DOI: 10.1021/jm301419d
BindingDB Entry DOI: 10.7270/Q2QR4Z8D
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50346787
PNG
(CHEMBL1795442)
Show SMILES Cc1ccc(cc1)-c1cc2cc3CC(Oc3cc2o1)C(C)(C)O
Show InChI InChI=1S/C20H20O3/c1-12-4-6-13(7-5-12)16-9-14-8-15-10-19(20(2,3)21)23-18(15)11-17(14)22-16/h4-9,11,19,21H,10H2,1-3H3
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n/an/a 310n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50346786
PNG
(CHEMBL1795443)
Show SMILES CC(C)(O)C1Cc2cc3cc(oc3cc2O1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C19H16F2O3/c1-19(2,22)18-7-11-3-10-6-15(23-16(10)9-17(11)24-18)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,22H,7H2,1-2H3
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n/an/a 360n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50430492
PNG
(CHEMBL2335528)
Show SMILES CCCCCCCCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O
Show InChI InChI=1S/C24H34O6S/c1-4-5-6-7-8-9-10-11-12-13-16-31(27,28)21-17-18(25)22-19(29-2)14-15-20(30-3)23(22)24(21)26/h14-15,17H,4-13,16H2,1-3H3
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n/an/a 440n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of human macrophage ACAT expressed in human HepG2 cells using [14C]oleoyl-CoA as substrate incubated for 20 mins prior to substrate additi...


Eur J Med Chem 62: 515-25 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.020
BindingDB Entry DOI: 10.7270/Q29G5P5N
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50346792
PNG
(CHEMBL1795437)
Show SMILES CC(C)(O)C1Cc2cc3cc(oc3cc2O1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H24O4/c1-26(2,27)25-14-20-12-19-13-22(29-23(19)15-24(20)30-25)18-8-10-21(11-9-18)28-16-17-6-4-3-5-7-17/h3-13,15,25,27H,14,16H2,1-2H3
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n/an/a 490n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50346791
PNG
(CHEMBL1795438)
Show SMILES COc1ccccc1-c1cc2cc3CC(Oc3cc2o1)C(C)(C)O
Show InChI InChI=1S/C20H20O4/c1-20(2,21)19-10-13-8-12-9-18(23-16(12)11-17(13)24-19)14-6-4-5-7-15(14)22-3/h4-9,11,19,21H,10H2,1-3H3
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n/an/a 580n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(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 590n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1768-70 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.049
BindingDB Entry DOI: 10.7270/Q2H70H54
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50430480
PNG
(CHEMBL2335539)
Show SMILES CCCCCCCCCCSC1=CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C20H26O2S/c1-2-3-4-5-6-7-8-11-14-23-19-15-18(21)16-12-9-10-13-17(16)20(19)22/h9-10,12-13,15H,2-8,11,14H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of human macrophage ACAT expressed in human HepG2 cells using [14C]oleoyl-CoA as substrate incubated for 20 mins prior to substrate additi...


Eur J Med Chem 62: 515-25 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.020
BindingDB Entry DOI: 10.7270/Q29G5P5N
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50400095
PNG
(CHEMBL2178407)
Show SMILES COC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C27H29NO4/c1-31-26(30)21-3-2-4-23(14-21)28-25(29)9-10-32-24-7-5-22(6-8-24)27-15-18-11-19(16-27)13-20(12-18)17-27/h2-10,14,18-20H,11-13,15-17H2,1H3,(H,28,29)/b10-9+
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n/an/a 740n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of HIF1alpha in human HCT116 cells under hypoxic condition after 16 hrs by dual luciferase reporter gene assay


J Med Chem 55: 10564-71 (2012)


Article DOI: 10.1021/jm301419d
BindingDB Entry DOI: 10.7270/Q2QR4Z8D
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50400085
PNG
(CHEMBL2178416)
Show SMILES CCOC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C28H31NO4/c1-2-32-27(31)22-4-3-5-24(15-22)29-26(30)10-11-33-25-8-6-23(7-9-25)28-16-19-12-20(17-28)14-21(13-19)18-28/h3-11,15,19-21H,2,12-14,16-18H2,1H3,(H,29,30)/b11-10+
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n/an/a 820n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of HIF1alpha in human HCT116 cells under hypoxic condition after 16 hrs by dual luciferase reporter gene assay


J Med Chem 55: 10564-71 (2012)


Article DOI: 10.1021/jm301419d
BindingDB Entry DOI: 10.7270/Q2QR4Z8D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 830n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1768-70 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.049
BindingDB Entry DOI: 10.7270/Q2H70H54
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50251014
PNG
(CHEMBL465881 | moracin N)
Show SMILES CC(C)=CCc1cc2cc(oc2cc1O)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C19H18O4/c1-11(2)3-4-12-5-13-8-18(23-19(13)10-17(12)22)14-6-15(20)9-16(21)7-14/h3,5-10,20-22H,4H2,1-2H3
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n/an/a 924n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Eur J Med Chem 90: 379-93 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.047
BindingDB Entry DOI: 10.7270/Q2GF0W5F
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50400092
PNG
(CHEMBL2178409)
Show SMILES COC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
Show InChI InChI=1S/C25H31NO4/c1-24(2,3)17-25(4,5)19-10-12-21(13-11-19)30-15-14-22(27)26-20-9-7-8-18(16-20)23(28)29-6/h7-16H,17H2,1-6H3,(H,26,27)/b15-14+
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n/an/a 1.04E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of HIF1alpha in human HCT116 cells under hypoxic condition after 16 hrs by dual luciferase reporter gene assay


J Med Chem 55: 10564-71 (2012)


Article DOI: 10.1021/jm301419d
BindingDB Entry DOI: 10.7270/Q2QR4Z8D
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50400076
PNG
(CHEMBL2178404)
Show SMILES O=C(Nc1cccc(c1)C(=O)NCCN1CCOCC1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C32H39N3O4/c36-30(34-28-3-1-2-26(19-28)31(37)33-9-10-35-11-14-38-15-12-35)8-13-39-29-6-4-27(5-7-29)32-20-23-16-24(21-32)18-25(17-23)22-32/h1-8,13,19,23-25H,9-12,14-18,20-22H2,(H,33,37)(H,34,36)/b13-8+
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n/an/a 1.07E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of HIF1alpha in human HCT116 cells under hypoxic condition after 16 hrs by dual luciferase reporter gene assay


J Med Chem 55: 10564-71 (2012)


Article DOI: 10.1021/jm301419d
BindingDB Entry DOI: 10.7270/Q2QR4Z8D
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50430507
PNG
(CHEMBL2335563)
Show SMILES CCCCCCCCCC=CS(=O)c1cc(O)c2c(OC)ccc(OC)c2c1O
Show InChI InChI=1S/C23H32O5S/c1-4-5-6-7-8-9-10-11-12-15-29(26)20-16-17(24)21-18(27-2)13-14-19(28-3)22(21)23(20)25/h12-16,24-25H,4-11H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of human macrophage ACAT expressed in human HepG2 cells using [14C]oleoyl-CoA as substrate incubated for 20 mins prior to substrate additi...


Eur J Med Chem 62: 515-25 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.020
BindingDB Entry DOI: 10.7270/Q29G5P5N
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50346785
PNG
(CHEMBL1795444)
Show SMILES CC(C)(O)C1Cc2cc3cc(oc3cc2O1)-c1ccncc1
Show InChI InChI=1S/C18H17NO3/c1-18(2,20)17-9-13-7-12-8-14(11-3-5-19-6-4-11)21-15(12)10-16(13)22-17/h3-8,10,17,20H,9H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50400087
PNG
(CHEMBL2178414)
Show SMILES CS(=O)(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C26H29NO4S/c1-32(29,30)24-4-2-3-22(14-24)27-25(28)9-10-31-23-7-5-21(6-8-23)26-15-18-11-19(16-26)13-20(12-18)17-26/h2-10,14,18-20H,11-13,15-17H2,1H3,(H,27,28)/b10-9+
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n/an/a 1.18E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of HIF1alpha in human HCT116 cells under hypoxic condition after 16 hrs by dual luciferase reporter gene assay


J Med Chem 55: 10564-71 (2012)


Article DOI: 10.1021/jm301419d
BindingDB Entry DOI: 10.7270/Q2QR4Z8D
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50400077
PNG
(CHEMBL2178403)
Show SMILES O=C(Nc1cccc(c1)C(=O)NCCc1ccncc1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C33H35N3O3/c37-31(36-29-3-1-2-27(19-29)32(38)35-14-10-23-8-12-34-13-9-23)11-15-39-30-6-4-28(5-7-30)33-20-24-16-25(21-33)18-26(17-24)22-33/h1-9,11-13,15,19,24-26H,10,14,16-18,20-22H2,(H,35,38)(H,36,37)/b15-11+
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n/an/a 1.34E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of HIF1alpha in human HCT116 cells under hypoxic condition after 16 hrs by dual luciferase reporter gene assay


J Med Chem 55: 10564-71 (2012)


Article DOI: 10.1021/jm301419d
BindingDB Entry DOI: 10.7270/Q2QR4Z8D
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50400082
PNG
(CHEMBL2178419)
Show SMILES O=C(Nc1cccc(c1)C(=O)OCCN1CCCC1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C32H38N2O4/c35-30(33-28-5-3-4-26(19-28)31(36)38-15-13-34-11-1-2-12-34)10-14-37-29-8-6-27(7-9-29)32-20-23-16-24(21-32)18-25(17-23)22-32/h3-10,14,19,23-25H,1-2,11-13,15-18,20-22H2,(H,33,35)/b14-10+
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n/an/a 1.35E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of HIF1alpha in human HCT116 cells under hypoxic condition after 16 hrs by dual luciferase reporter gene assay


J Med Chem 55: 10564-71 (2012)


Article DOI: 10.1021/jm301419d
BindingDB Entry DOI: 10.7270/Q2QR4Z8D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 1.45E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1768-70 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.049
BindingDB Entry DOI: 10.7270/Q2H70H54
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50430476
PNG
(CHEMBL2335542)
Show SMILES CCCCCCCCCCCCCCCCCCSC1=CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C28H42O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-31-27-23-26(29)24-20-17-18-21-25(24)28(27)30/h17-18,20-21,23H,2-16,19,22H2,1H3
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n/an/a 1.45E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of human macrophage ACAT expressed in human HepG2 cells using [14C]oleoyl-CoA as substrate incubated for 20 mins prior to substrate additi...


Eur J Med Chem 62: 515-25 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.020
BindingDB Entry DOI: 10.7270/Q29G5P5N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50430091
PNG
(OROXYLIN A)
Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccccc1
Show InChI InChI=1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3
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n/an/a 1.48E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1768-70 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.049
BindingDB Entry DOI: 10.7270/Q2H70H54
More data for this
Ligand-Target Pair
Interleukin-6 receptor subunit beta


(Homo sapiens)
BDBM50145177
PNG
(CHEMBL3764956)
Show SMILES CCCCCC(=C)[C@@H](O)[C@H](C)Cn1cc(CCO)c2ccccc12
Show InChI InChI=1S/C21H31NO2/c1-4-5-6-9-16(2)21(24)17(3)14-22-15-18(12-13-23)19-10-7-8-11-20(19)22/h7-8,10-11,15,17,21,23-24H,2,4-6,9,12-14H2,1,3H3/t17-,21-/m1/s1
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n/an/a 1.48E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1282-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.016
BindingDB Entry DOI: 10.7270/Q2XD13JX
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50430481
PNG
(CHEMBL2335538)
Show SMILES CCCCCCCCCSC1=CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H24O2S/c1-2-3-4-5-6-7-10-13-22-18-14-17(20)15-11-8-9-12-16(15)19(18)21/h8-9,11-12,14H,2-7,10,13H2,1H3
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n/an/a 1.63E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of human macrophage ACAT expressed in human HepG2 cells using [14C]oleoyl-CoA as substrate incubated for 20 mins prior to substrate additi...


Eur J Med Chem 62: 515-25 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.020
BindingDB Entry DOI: 10.7270/Q29G5P5N
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50430478
PNG
(CHEMBL2335540)
Show SMILES CCCCCCCCCCCCSC1=CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H30O2S/c1-2-3-4-5-6-7-8-9-10-13-16-25-21-17-20(23)18-14-11-12-15-19(18)22(21)24/h11-12,14-15,17H,2-10,13,16H2,1H3
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n/an/a 1.66E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of human macrophage ACAT expressed in human HepG2 cells using [14C]oleoyl-CoA as substrate incubated for 20 mins prior to substrate additi...


Eur J Med Chem 62: 515-25 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.020
BindingDB Entry DOI: 10.7270/Q29G5P5N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 1.69E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1768-70 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.049
BindingDB Entry DOI: 10.7270/Q2H70H54
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50400084
PNG
(CHEMBL2178417)
Show SMILES COCCOC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C29H33NO5/c1-33-11-12-35-28(32)23-3-2-4-25(16-23)30-27(31)9-10-34-26-7-5-24(6-8-26)29-17-20-13-21(18-29)15-22(14-20)19-29/h2-10,16,20-22H,11-15,17-19H2,1H3,(H,30,31)/b10-9+
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n/an/a 1.84E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of HIF1alpha in human HCT116 cells under hypoxic condition after 16 hrs by dual luciferase reporter gene assay


J Med Chem 55: 10564-71 (2012)


Article DOI: 10.1021/jm301419d
BindingDB Entry DOI: 10.7270/Q2QR4Z8D
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50400075
PNG
(CHEMBL2178405)
Show SMILES O=C(Nc1cccc(c1)C(=O)NCCCn1ccnc1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C32H36N4O3/c37-30(35-28-4-1-3-26(18-28)31(38)34-10-2-12-36-13-11-33-22-36)9-14-39-29-7-5-27(6-8-29)32-19-23-15-24(20-32)17-25(16-23)21-32/h1,3-9,11,13-14,18,22-25H,2,10,12,15-17,19-21H2,(H,34,38)(H,35,37)/b14-9+
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n/an/a 1.85E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of HIF1alpha in human HCT116 cells under hypoxic condition after 16 hrs by dual luciferase reporter gene assay


J Med Chem 55: 10564-71 (2012)


Article DOI: 10.1021/jm301419d
BindingDB Entry DOI: 10.7270/Q2QR4Z8D
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50400091
PNG
(CHEMBL2178410)
Show SMILES COC(=O)c1ccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C27H29NO4/c1-31-26(30)21-2-6-23(7-3-21)28-25(29)10-11-32-24-8-4-22(5-9-24)27-15-18-12-19(16-27)14-20(13-18)17-27/h2-11,18-20H,12-17H2,1H3,(H,28,29)/b11-10+
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n/an/a 2.17E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of HIF1alpha in human HCT116 cells under hypoxic condition after 16 hrs by dual luciferase reporter gene assay


J Med Chem 55: 10564-71 (2012)


Article DOI: 10.1021/jm301419d
BindingDB Entry DOI: 10.7270/Q2QR4Z8D
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50381284
PNG
(CHEMBL2018876)
Show SMILES CC(C)=CCc1c(O)cc(cc1O)-c1cc2ccc(O)cc2o1
Show InChI InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3
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n/an/a 2.27E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of human aromatase in term placenta microsome assessed as radioactivity


Eur J Med Chem 90: 379-93 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.047
BindingDB Entry DOI: 10.7270/Q2GF0W5F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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n/an/a 2.32E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay


Bioorg Med Chem Lett 23: 1768-70 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.049
BindingDB Entry DOI: 10.7270/Q2H70H54
More data for this
Ligand-Target Pair
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