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Compile Data Set for Download or QSAR

Found 119 hits with Last Name = 'lee' and Initial = 'mk'   
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
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090474
PNG
(CHEMBL3581710)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(CCC(=O)C(C)=C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H25NO6S/c1-13-10-16(23-21(25)22(26)27)11-14(2)20(13)30(28,29)17-8-9-19(24)18(12-17)15-6-4-3-5-7-15/h8-12,15,24H,3-7H2,1-2H3,(H,23,25)(H,26,27)
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n/an/a 270n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090474
PNG
(CHEMBL3581710)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(CCC(=O)C(C)=C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H25NO6S/c1-13-10-16(23-21(25)22(26)27)11-14(2)20(13)30(28,29)17-8-9-19(24)18(12-17)15-6-4-3-5-7-15/h8-12,15,24H,3-7H2,1-2H3,(H,23,25)(H,26,27)
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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate preincubated for 15 mins prior substrate addition measured after 15 ...


Bioorg Med Chem Lett 22: 2760-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.088
BindingDB Entry DOI: 10.7270/Q2H41SFC
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase pre-incubated for 15 mins before p-nitrophenylbutyrate substrate addition by microplate reader based method


Bioorg Med Chem Lett 25: 3455-7 (2015)


BindingDB Entry DOI: 10.7270/Q2H41T73
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090504
PNG
(CHEMBL3581714)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H29O9P.Na/c1-19(23,12-11-16-9-7-10-18(22)27-16)17(28-29(24,25)26)14-15(21)8-5-3-2-4-6-13-20;/h2-4,6-7,10-12,15-17,20-21,23H,5,8-9,13-14H2,1H3,(H2,24,25,26);/q;+1/p-1/b3-2-,6-4+,12-11+;/t15-,16+,17+,19+;/m0./s1
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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090504
PNG
(CHEMBL3581714)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H29O9P.Na/c1-19(23,12-11-16-9-7-10-18(22)27-16)17(28-29(24,25)26)14-15(21)8-5-3-2-4-6-13-20;/h2-4,6-7,10-12,15-17,20-21,23H,5,8-9,13-14H2,1H3,(H2,24,25,26);/q;+1/p-1/b3-2-,6-4+,12-11+;/t15-,16+,17+,19+;/m0./s1
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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090483
PNG
(CHEMBL3581712)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(CCC(=O)C(C)=C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C34H38Cl2N2O6S/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40/h4-9,18-20H,10-17,21-22H2,1-3H3/t33-,45?/m0/s1
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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090483
PNG
(CHEMBL3581712)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(CCC(=O)C(C)=C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C34H38Cl2N2O6S/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40/h4-9,18-20H,10-17,21-22H2,1-3H3/t33-,45?/m0/s1
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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090486
PNG
(CHEMBL3581713)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C34H38Cl2N2O6S/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40/h4-9,18-20H,10-17,21-22H2,1-3H3/t33-,45?/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090486
PNG
(CHEMBL3581713)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C34H38Cl2N2O6S/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40/h4-9,18-20H,10-17,21-22H2,1-3H3/t33-,45?/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50251013
PNG
(2,4,2',4'-tetrahydroxy-3'-prenylchalcone | CHEMBL4...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2-[#8])c1-[#8]
Show InChI InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+
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n/an/a 6.20E+3n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50193719
PNG
((S)-5,7,7'-trihydroxy-2',2'-dimethyl-6-(3-methylbu...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1cc2-[#6]=[#6]C([#6])([#6])[#8]-c2cc1-[#8] |c:23|
Show InChI InChI=1S/C25H26O6/c1-13(2)5-6-15-17(26)11-22-23(24(15)29)19(28)12-21(30-22)16-9-14-7-8-25(3,4)31-20(14)10-18(16)27/h5,7-11,21,26-27,29H,6,12H2,1-4H3/t21-/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase pre-incubated for 15 mins before p-nitrophenylbutyrate substrate addition by microplate reader based method


Bioorg Med Chem Lett 25: 3455-7 (2015)


BindingDB Entry DOI: 10.7270/Q2H41T73
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50193723
PNG
((S)-2-(2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl)...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6@@H]-2-[#6]-[#6](=O)-c3c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc3-[#8]-2)c(-[#8])cc1-[#8]
Show InChI InChI=1S/C25H28O6/c1-13(2)5-7-15-9-17(19(27)10-18(15)26)22-12-21(29)24-23(31-22)11-20(28)16(25(24)30)8-6-14(3)4/h5-6,9-11,22,26-28,30H,7-8,12H2,1-4H3/t22-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase pre-incubated for 15 mins before p-nitrophenylbutyrate substrate addition by microplate reader based method


Bioorg Med Chem Lett 25: 3455-7 (2015)


BindingDB Entry DOI: 10.7270/Q2H41T73
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(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 1.02E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FIH1


Bioorg Med Chem 17: 7769-74 (2009)


Article DOI: 10.1016/j.bmc.2009.09.034
BindingDB Entry DOI: 10.7270/Q2TM7B6R
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090480
PNG
(CHEMBL3581705)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)(C)O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H17NO5/c1-9-8-13(4-5-14(9)19)23-15-10(2)6-12(7-11(15)3)18-16(20)17(21)22/h4-8,19H,1-3H3,(H,18,20)(H,21,22)
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n/an/a 1.71E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090480
PNG
(CHEMBL3581705)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)(C)O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H17NO5/c1-9-8-13(4-5-14(9)19)23-15-10(2)6-12(7-11(15)3)18-16(20)17(21)22/h4-8,19H,1-3H3,(H,18,20)(H,21,22)
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n/an/a 1.71E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090481
PNG
(CHEMBL3581711)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H18FNO5/c1-12-8-16(24-21(26)22(27)28)9-13(2)20(12)29-17-6-7-19(25)18(11-17)14-4-3-5-15(23)10-14/h3-11,25H,1-2H3,(H,24,26)(H,27,28)
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n/an/a 1.76E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090481
PNG
(CHEMBL3581711)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H18FNO5/c1-12-8-16(24-21(26)22(27)28)9-13(2)20(12)29-17-6-7-19(25)18(11-17)14-4-3-5-15(23)10-14/h3-11,25H,1-2H3,(H,24,26)(H,27,28)
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n/an/a 1.76E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50242015
PNG
(CHEMBL518543 | Kuwanon C, 4 | kuwanon C)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1oc(-c1ccc(-[#8])cc1-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2=O
Show InChI InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
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n/an/a 1.86E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090475
PNG
(CHEMBL3581709)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(CCC(=O)C(C)=C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H19NO5/c1-13-10-16(23-21(25)22(26)27)11-14(2)20(13)28-17-8-9-19(24)18(12-17)15-6-4-3-5-7-15/h3-12,24H,1-2H3,(H,23,25)(H,26,27)
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n/an/a 1.92E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090475
PNG
(CHEMBL3581709)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(CCC(=O)C(C)=C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H19NO5/c1-13-10-16(23-21(25)22(26)27)11-14(2)20(13)28-17-8-9-19(24)18(12-17)15-6-4-3-5-7-15/h3-12,24H,1-2H3,(H,23,25)(H,26,27)
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n/an/a 1.92E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Jumonji domain-containing protein 2A (JMJD2A)


(Homo sapiens (Human))
BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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n/an/a>2.00E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Jumonji domain-containing protein 2C (JMJD2C)


(Homo sapiens (Human))
BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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n/an/a>2.00E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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n/an/a>2.00E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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n/an/a>2.00E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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n/an/a>2.00E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens (Human))
BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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n/an/a>2.00E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50381001
PNG
(CHEMBL2017114)
Show SMILES COC1=CC(=O)C=CC1(O)CCCc1ccc(O)cc1 |c:6,t:2|
Show InChI InChI=1S/C16H18O4/c1-20-15-11-14(18)8-10-16(15,19)9-2-3-12-4-6-13(17)7-5-12/h4-8,10-11,17,19H,2-3,9H2,1H3
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n/an/a 2.84E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate preincubated for 15 mins prior substrate addition measured after 15 ...


Bioorg Med Chem Lett 22: 2760-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.088
BindingDB Entry DOI: 10.7270/Q2H41SFC
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50083074
PNG
(CHEMBL3422851)
Show SMILES CC1(C)Oc2cc3oc(cc3cc2C=C1)-c1cc(O)cc(O)c1 |c:15|
Show InChI InChI=1S/C19H16O4/c1-19(2)4-3-11-5-12-8-16(22-17(12)10-18(11)23-19)13-6-14(20)9-15(21)7-13/h3-10,20-21H,1-2H3
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n/an/a 2.92E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50251014
PNG
(CHEMBL465881 | moracin N)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2cc(oc2cc1-[#8])-c1cc(-[#8])cc(-[#8])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 2.97E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090476
PNG
(CHEMBL3581708)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)(C)OO)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H25NO4S/c1-13-10-16(23-21(25)22(26)27)11-14(2)20(13)28-17-8-9-19(24)18(12-17)15-6-4-3-5-7-15/h8-12,15,24H,3-7H2,1-2H3,(H,23,25)(H,26,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090476
PNG
(CHEMBL3581708)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)(C)OO)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H25NO4S/c1-13-10-16(23-21(25)22(26)27)11-14(2)20(13)28-17-8-9-19(24)18(12-17)15-6-4-3-5-7-15/h8-12,15,24H,3-7H2,1-2H3,(H,23,25)(H,26,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090477
PNG
(CHEMBL3581707)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)(C)OO)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H18ClNO5/c1-12-8-16(24-21(26)22(27)28)9-13(2)20(12)29-17-6-7-19(25)18(11-17)14-4-3-5-15(23)10-14/h3-11,25H,1-2H3,(H,24,26)(H,27,28)
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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090477
PNG
(CHEMBL3581707)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)(C)OO)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H18ClNO5/c1-12-8-16(24-21(26)22(27)28)9-13(2)20(12)29-17-6-7-19(25)18(11-17)14-4-3-5-15(23)10-14/h3-11,25H,1-2H3,(H,24,26)(H,27,28)
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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090478
PNG
(CHEMBL3581706)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)(C)OO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C23H18F3NO5/c1-12-8-16(27-21(29)22(30)31)9-13(2)20(12)32-17-6-7-19(28)18(11-17)14-4-3-5-15(10-14)23(24,25)26/h3-11,28H,1-2H3,(H,27,29)(H,30,31)
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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090478
PNG
(CHEMBL3581706)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)(C)OO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C23H18F3NO5/c1-12-8-16(27-21(29)22(30)31)9-13(2)20(12)32-17-6-7-19(28)18(11-17)14-4-3-5-15(10-14)23(24,25)26/h3-11,28H,1-2H3,(H,27,29)(H,30,31)
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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090479
PNG
(CHEMBL3581704)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H18ClNO5/c1-12-9-14(24-21(26)22(27)28)10-13(2)20(12)29-15-7-8-19(25)17(11-15)16-5-3-4-6-18(16)23/h3-11,25H,1-2H3,(H,24,26)(H,27,28)
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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50090479
PNG
(CHEMBL3581704)
Show SMILES [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(C\C=C\C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H18ClNO5/c1-12-9-14(24-21(26)22(27)28)10-13(2)20(12)29-15-7-8-19(25)17(11-15)16-5-3-4-6-18(16)23/h3-11,25H,1-2H3,(H,24,26)(H,27,28)
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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay


J Nat Prod 78: 971-6 (2015)


Article DOI: 10.1021/np500803e
BindingDB Entry DOI: 10.7270/Q22B90SD
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50381284
PNG
(CHEMBL2018876)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-c1cc2ccc(-[#8])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 3.20E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50304610
PNG
(3-(5-(2-methoxybenzylidene)-4-oxo-2-thioxothiazoli...)
Show SMILES COc1ccccc1\C=C1/SC(=S)N(CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)C1=O
Show InChI InChI=1S/C20H19N3O5S3/c1-28-16-5-3-2-4-13(16)12-17-19(25)23(20(29)30-17)11-10-18(24)22-14-6-8-15(9-7-14)31(21,26)27/h2-9,12H,10-11H2,1H3,(H,22,24)(H2,21,26,27)/b17-12-
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n/an/a 3.21E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FIH1


Bioorg Med Chem 17: 7769-74 (2009)


Article DOI: 10.1016/j.bmc.2009.09.034
BindingDB Entry DOI: 10.7270/Q2TM7B6R
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50304612
PNG
(2-(5-((3-(4-(ethylthio)phenyl)-1-phenyl-1H-pyrazol...)
Show SMILES CCSc1ccc(cc1)-c1nn(cc1\C=C1\SC(=S)N(CC(O)=O)C1=O)-c1ccccc1
Show InChI InChI=1S/C23H19N3O3S3/c1-2-31-18-10-8-15(9-11-18)21-16(13-26(24-21)17-6-4-3-5-7-17)12-19-22(29)25(14-20(27)28)23(30)32-19/h3-13H,2,14H2,1H3,(H,27,28)/b19-12+
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n/an/a 3.62E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FIH1


Bioorg Med Chem 17: 7769-74 (2009)


Article DOI: 10.1016/j.bmc.2009.09.034
BindingDB Entry DOI: 10.7270/Q2TM7B6R
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50304617
PNG
(6-((2-methoxyphenoxy)methyl)-3-(quinolin-2-yl)thia...)
Show SMILES COc1ccccc1OCc1cn2c(nnc2s1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C21H16N4O2S/c1-26-18-8-4-5-9-19(18)27-13-15-12-25-20(23-24-21(25)28-15)17-11-10-14-6-2-3-7-16(14)22-17/h2-12H,13H2,1H3
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n/an/a 4.14E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FIH1


Bioorg Med Chem 17: 7769-74 (2009)


Article DOI: 10.1016/j.bmc.2009.09.034
BindingDB Entry DOI: 10.7270/Q2TM7B6R
More data for this
Ligand-Target Pair
Jumonji domain-containing protein 2A (JMJD2A)


(Homo sapiens (Human))
BDBM103845
PNG
(4HQ derivative 8)
Show SMILES CCCCCCCc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C19H24N2O4/c1-2-3-4-5-6-11-15-13-9-7-8-10-14(13)18(24)17(21-15)19(25)20-12-16(22)23/h7-10,24H,2-6,11-12H2,1H3,(H,20,25)(H,22,23)
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n/an/a 4.30E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50304614
PNG
(CHEMBL594893 | N-(benzo[c][1,2,5]oxadiazol-4-yl)-2...)
Show SMILES COc1cccc(\C=C2/SC(=S)N(CC(=O)Nc3cccc4nonc34)C2=O)c1
Show InChI InChI=1S/C19H14N4O4S2/c1-26-12-5-2-4-11(8-12)9-15-18(25)23(19(28)29-15)10-16(24)20-13-6-3-7-14-17(13)22-27-21-14/h2-9H,10H2,1H3,(H,20,24)/b15-9-
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n/an/a 4.53E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FIH1


Bioorg Med Chem 17: 7769-74 (2009)


Article DOI: 10.1016/j.bmc.2009.09.034
BindingDB Entry DOI: 10.7270/Q2TM7B6R
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50304616
PNG
(6-(2-methoxystyryl)-3-(quinolin-2-yl)thiazolo[2,3-...)
Show SMILES COc1ccccc1\C=C\c1cn2c(nnc2s1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C22H16N4OS/c1-27-20-9-5-3-7-16(20)10-12-17-14-26-21(24-25-22(26)28-17)19-13-11-15-6-2-4-8-18(15)23-19/h2-14H,1H3/b12-10+
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n/an/a 4.75E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FIH1


Bioorg Med Chem 17: 7769-74 (2009)


Article DOI: 10.1016/j.bmc.2009.09.034
BindingDB Entry DOI: 10.7270/Q2TM7B6R
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50304613
PNG
(CHEMBL593127 | N-(benzo[c][1,2,5]oxadiazol-4-yl)-3...)
Show SMILES O=C(CCN1C(=S)S\C(=C\C=C\c2ccco2)C1=O)Nc1cccc2nonc12
Show InChI InChI=1S/C19H14N4O4S2/c24-16(20-13-6-2-7-14-17(13)22-27-21-14)9-10-23-18(25)15(29-19(23)28)8-1-4-12-5-3-11-26-12/h1-8,11H,9-10H2,(H,20,24)/b4-1+,15-8+
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n/an/a 4.86E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FIH1


Bioorg Med Chem 17: 7769-74 (2009)


Article DOI: 10.1016/j.bmc.2009.09.034
BindingDB Entry DOI: 10.7270/Q2TM7B6R
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM103843
PNG
(4HQ derivative 6)
Show SMILES OC(=O)CNC(=O)c1nc(Cc2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C19H16N2O4/c22-16(23)11-20-19(25)17-18(24)14-9-5-4-8-13(14)15(21-17)10-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)
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n/an/a 5.20E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50114928
PNG
(CHEMBL3609152)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]-c2ccc(-[#8])cc2)c(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1 |r|
Show InChI InChI=1/C27H26O6/c1-15(2)3-12-20-25(31)21(13-16-4-8-18(28)9-5-16)26(32)24-22(30)14-23(33-27(20)24)17-6-10-19(29)11-7-17/h3-11,23,28-29,31-32H,12-14H2,1-2H3/t23-/s2
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n/an/a 5.48E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase pre-incubated for 15 mins before p-nitrophenylbutyrate substrate addition by microplate reader based method


Bioorg Med Chem Lett 25: 3455-7 (2015)


BindingDB Entry DOI: 10.7270/Q2H41T73
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50083070
PNG
(CHEMBL3422848)
Show SMILES Oc1ccc(C2CC(=O)c3ccc(O)cc3O2)c(O)c1
Show InChI InChI=1/C15H12O5/c16-8-1-3-10(12(18)5-8)15-7-13(19)11-4-2-9(17)6-14(11)20-15/h1-6,15-18H,7H2
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UniChem
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n/an/a 5.64E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
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