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Compile Data Set for Download or QSAR

Found 131 hits with Last Name = 'hwang' and Initial = 'by'   
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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50278899
PNG
(CHEMBL4174694)
Show SMILES [#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-9-17-18(27)12-23-24(25(17)31)19(28)13-22(33-23)16-10-20(29)26(32-4)21(30)11-16/h6,8,10-12,22,27,29-31H,5,7,9,13H2,1-4H3/b15-8+/t22-/m0/s1
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3.20E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciproc...


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50380203
PNG
(CHEMBL253152)
Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-20(28)13-24-25(26(18)30)21(29)14-22(32-24)17-9-11-19(27)23(12-17)31-4/h6,8-9,11-13,22,27-28,30H,5,7,10,14H2,1-4H3/b16-8+/t22-/m0/s1
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4.30E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciproc...


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50278908
PNG
(CHEMBL4160635)
Show SMILES COc1cc(cc(O)c1O)[C@@H]1CC(=O)c2c(O)c(C\C=C(/C)CCCC(C)(C)O)c(O)cc2O1 |r|
Show InChI InChI=1S/C26H32O8/c1-14(6-5-9-26(2,3)32)7-8-16-17(27)12-21-23(24(16)30)18(28)13-20(34-21)15-10-19(29)25(31)22(11-15)33-4/h7,10-12,20,27,29-32H,5-6,8-9,13H2,1-4H3/b14-7+/t20-/m0/s1
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5.30E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciproc...


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50278898
PNG
(CHEMBL4167885)
Show SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)c(C\C=C(/C)CCCC(C)(C)O)c(O)cc2O1 |r|
Show InChI InChI=1S/C26H32O7/c1-15(6-5-11-26(2,3)31)7-9-17-18(27)13-23-24(25(17)30)20(29)14-22(33-23)16-8-10-21(32-4)19(28)12-16/h7-8,10,12-13,22,27-28,30-31H,5-6,9,11,14H2,1-4H3/b15-7+/t22-/m0/s1
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6.30E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciproc...


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50278911
PNG
(CHEMBL4171240)
Show SMILES C\C(CCCC(C)(C)O)=C/Cc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C25H30O7/c1-14(5-4-10-25(2,3)31)6-8-16-18(27)12-22-23(24(16)30)20(29)13-21(32-22)15-7-9-17(26)19(28)11-15/h6-7,9,11-12,21,26-28,30-31H,4-5,8,10,13H2,1-3H3/b14-6+/t21-/m0/s1
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8.30E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciproc...


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(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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1.01E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciproc...


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50278902
PNG
(CHEBI:66191 | tanariflavanone D)
Show SMILES C\C(CCC(O)C(C)=C)=C/Cc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C25H28O7/c1-13(2)17(26)8-5-14(3)4-7-16-19(28)11-23-24(25(16)31)21(30)12-22(32-23)15-6-9-18(27)20(29)10-15/h4,6,9-11,17,22,26-29,31H,1,5,7-8,12H2,2-3H3/b14-4+/t17?,22-/m0/s1
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1.17E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciproc...


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(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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1.19E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciproc...


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50278883
PNG
(CHEMBL4167043)
Show SMILES COc1c(O)cc(cc1O)[C@@H]1CC(=O)c2c(O)c(C\C=C(/C)CCC(O)C(C)=C)c(O)cc2O1 |r|
Show InChI InChI=1S/C26H30O8/c1-13(2)17(27)8-6-14(3)5-7-16-18(28)11-23-24(25(16)32)19(29)12-22(34-23)15-9-20(30)26(33-4)21(31)10-15/h5,9-11,17,22,27-28,30-32H,1,6-8,12H2,2-4H3/b14-5+/t17?,22-/m0/s1
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1.24E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciproc...


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50278905
PNG
(CHEMBL2387711)
Show SMILES CC(C)(O)CCCC1(C)CCc2c(O)c3C(=O)C[C@H](Oc3cc2O1)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C25H30O7/c1-24(2,30)8-4-9-25(3)10-7-15-20(32-25)13-21-22(23(15)29)18(28)12-19(31-21)14-5-6-16(26)17(27)11-14/h5-6,11,13,19,26-27,29-30H,4,7-10,12H2,1-3H3/t19-,25?/m0/s1
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1.25E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciproc...


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50278904
PNG
(CHEMBL4164709)
Show SMILES COc1cc(cc(O)c1O)[C@@H]1CC(=O)c2c(O)c3CCC(C)(CCCC(C)(C)O)Oc3cc2O1 |r|
Show InChI InChI=1S/C26H32O8/c1-25(2,31)7-5-8-26(3)9-6-15-19(34-26)13-20-22(23(15)29)16(27)12-18(33-20)14-10-17(28)24(30)21(11-14)32-4/h10-11,13,18,28-31H,5-9,12H2,1-4H3/t18-,26?/m0/s1
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1.31E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50380205
PNG
(NYMPHAEOL A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#8])c1 |r|
Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s1
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1.57E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciproc...


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50278916
PNG
(CHEMBL4167477)
Show SMILES COc1cc(cc(OC)c1O)[C@@H]1CC(=O)c2c(O)c(C\C=C(/C)CCCC(C)(C)O)c(O)cc2O1 |r|
Show InChI InChI=1S/C27H34O8/c1-15(7-6-10-27(2,3)32)8-9-17-18(28)13-21-24(25(17)30)19(29)14-20(35-21)16-11-22(33-4)26(31)23(12-16)34-5/h8,11-13,20,28,30-32H,6-7,9-10,14H2,1-5H3/b15-8+/t20-/m0/s1
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1.95E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciproc...


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(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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4.99E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciproc...


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50005781
PNG
(ALVESPIMYCIN | CHEBI:65324)
Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,25,t:17,23,36|
Show InChI InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 activation in human AGS cells by reporter gene assay


Bioorg Med Chem Lett 18: 2619-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.028
BindingDB Entry DOI: 10.7270/Q2Z322FR
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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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
Pancreatic triacylglycerol 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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n/an/a 300n/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 triacylglycerol 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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n/an/a 300n/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 triacylglycerol 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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n/an/a 320n/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)


Article DOI: 10.1016/j.bmcl.2015.07.017
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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n/an/a 500n/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))
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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n/an/a 590n/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
Tyrosinase


(Homo sapiens (Human))
BDBM50240041
PNG
(1-phenyl-2-thiourea | 1-phenylthiourea | CHEMBL263...)
Show SMILES NC(=S)Nc1ccccc1
Show InChI InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase


Bioorg Med Chem 18: 1555-62 (2010)


Article DOI: 10.1016/j.bmc.2010.01.005
BindingDB Entry DOI: 10.7270/Q23F4PQ7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50278908
PNG
(CHEMBL4160635)
Show SMILES COc1cc(cc(O)c1O)[C@@H]1CC(=O)c2c(O)c(C\C=C(/C)CCCC(C)(C)O)c(O)cc2O1 |r|
Show InChI InChI=1S/C26H32O8/c1-14(6-5-9-26(2,3)32)7-8-16-17(27)12-21-23(24(16)30)18(28)13-20(34-21)15-10-19(29)25(31)22(11-15)33-4/h7,10-12,20,27,29-32H,5-6,8-9,13H2,1-4H3/b14-7+/t20-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeOSuc-AAPV-pNA as substrate measured after 30 mins by spectrometric method


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50278899
PNG
(CHEMBL4174694)
Show SMILES [#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-9-17-18(27)12-23-24(25(17)31)19(28)13-22(33-23)16-10-20(29)26(32-4)21(30)11-16/h6,8,10-12,22,27,29-31H,5,7,9,13H2,1-4H3/b15-8+/t22-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeOSuc-AAPV-pNA as substrate measured after 30 mins by spectrometric method


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
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
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50478313
PNG
(Acetylbakuchiol)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]([#6])([#6]=[#6])\[#6]=[#6]\c1ccc(-[#8]-[#6](-[#6])=O)cc1
Show InChI InChI=1S/C20H26O2/c1-6-20(5,14-7-8-16(2)3)15-13-18-9-11-19(12-10-18)22-17(4)21/h6,8-13,15H,1,7,14H2,2-5H3/b15-13+/t20-/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 activation in human AGS cells by reporter gene assay


Bioorg Med Chem Lett 18: 2619-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.028
BindingDB Entry DOI: 10.7270/Q2Z322FR
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50478311
PNG
((S)-Bakuchiol | Bakuchiol | UP 256)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]([#6])([#6]=[#6])\[#6]=[#6]\c1ccc(-[#8])cc1 |r|
Show InChI InChI=1S/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,7-12,14,19H,1,6,13H2,2-4H3/b14-12+/t18-/m1/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 activation in human AGS cells by reporter gene assay


Bioorg Med Chem Lett 18: 2619-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.028
BindingDB Entry DOI: 10.7270/Q2Z322FR
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol 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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50278898
PNG
(CHEMBL4167885)
Show SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)c(C\C=C(/C)CCCC(C)(C)O)c(O)cc2O1 |r|
Show InChI InChI=1S/C26H32O7/c1-15(6-5-11-26(2,3)31)7-9-17-18(27)13-23-24(25(17)30)20(29)14-22(33-23)16-8-10-21(32-4)19(28)12-16/h7-8,10,12-13,22,27-28,30-31H,5-6,9,11,14H2,1-4H3/b15-7+/t22-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeOSuc-AAPV-pNA as substrate measured after 30 mins by spectrometric method


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol 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)


Article DOI: 10.1016/j.bmcl.2015.07.017
BindingDB Entry DOI: 10.7270/Q2H41T73
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50278911
PNG
(CHEMBL4171240)
Show SMILES C\C(CCCC(C)(C)O)=C/Cc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C25H30O7/c1-14(5-4-10-25(2,3)31)6-8-16-18(27)12-22-23(24(16)30)20(29)13-21(32-22)15-7-9-17(26)19(28)11-15/h6-7,9,11-12,21,26-28,30-31H,4-5,8,10,13H2,1-3H3/b14-6+/t21-/m0/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeOSuc-AAPV-pNA as substrate measured after 30 mins by spectrometric method


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50380203
PNG
(CHEMBL253152)
Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-20(28)13-24-25(26(18)30)21(29)14-22(32-24)17-9-11-19(27)23(12-17)31-4/h6,8-9,11-13,22,27-28,30H,5,7,10,14H2,1-4H3/b16-8+/t22-/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeOSuc-AAPV-pNA as substrate measured after 30 mins by spectrometric method


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50278905
PNG
(CHEMBL2387711)
Show SMILES CC(C)(O)CCCC1(C)CCc2c(O)c3C(=O)C[C@H](Oc3cc2O1)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C25H30O7/c1-24(2,30)8-4-9-25(3)10-7-15-20(32-25)13-21-22(23(15)29)18(28)12-19(31-21)14-5-6-16(26)17(27)11-14/h5-6,11,13,19,26-27,29-30H,4,7-10,12H2,1-3H3/t19-,25?/m0/s1
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n/an/a 8.40E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeOSuc-AAPV-pNA as substrate measured after 30 mins by spectrometric method


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50478315
PNG
(CHEMBL262630 | O-Methylbakuchiol)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\[C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6]=[#6])cc1
Show InChI InChI=1S/C19H26O/c1-6-19(4,14-7-8-16(2)3)15-13-17-9-11-18(20-5)12-10-17/h6,8-13,15H,1,7,14H2,2-5H3/b15-13+/t19-/m1/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 activation in human AGS cells by reporter gene assay


Bioorg Med Chem Lett 18: 2619-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.028
BindingDB Entry DOI: 10.7270/Q2Z322FR
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol 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)


Article DOI: 10.1016/j.bmcl.2015.07.017
BindingDB Entry DOI: 10.7270/Q2H41T73
More data for this
Ligand-Target Pair
Neutrophil elastase


(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 1.27E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeOSuc-AAPV-pNA as substrate measured after 30 mins by spectrometric method


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50278883
PNG
(CHEMBL4167043)
Show SMILES COc1c(O)cc(cc1O)[C@@H]1CC(=O)c2c(O)c(C\C=C(/C)CCC(O)C(C)=C)c(O)cc2O1 |r|
Show InChI InChI=1S/C26H30O8/c1-13(2)17(27)8-6-14(3)5-7-16-18(28)11-23-24(25(16)32)19(29)12-22(34-23)15-9-20(30)26(33-4)21(31)10-15/h5,9-11,17,22,27-28,30-32H,1,6-8,12H2,2-4H3/b14-5+/t17?,22-/m0/s1
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n/an/a 1.36E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeOSuc-AAPV-pNA as substrate measured after 30 mins by spectrometric method


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(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 1.43E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeOSuc-AAPV-pNA as substrate measured after 30 mins by spectrometric method


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50278902
PNG
(CHEBI:66191 | tanariflavanone D)
Show SMILES C\C(CCC(O)C(C)=C)=C/Cc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C25H28O7/c1-13(2)17(26)8-5-14(3)4-7-16-19(28)11-23-24(25(16)31)21(30)12-22(32-23)15-6-9-18(27)20(29)10-15/h4,6,9-11,17,22,26-29,31H,1,5,7-8,12H2,2-3H3/b14-4+/t17?,22-/m0/s1
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n/an/a 1.54E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeOSuc-AAPV-pNA as substrate measured after 30 mins by spectrometric method


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50278904
PNG
(CHEMBL4164709)
Show SMILES COc1cc(cc(O)c1O)[C@@H]1CC(=O)c2c(O)c3CCC(C)(CCCC(C)(C)O)Oc3cc2O1 |r|
Show InChI InChI=1S/C26H32O8/c1-25(2,31)7-5-8-26(3)9-6-15-19(34-26)13-20-22(23(15)29)16(27)12-18(33-20)14-10-17(28)24(30)21(11-14)32-4/h10-11,13,18,28-31H,5-9,12H2,1-4H3/t18-,26?/m0/s1
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n/an/a 1.79E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeOSuc-AAPV-pNA as substrate measured after 30 mins by spectrometric method


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol 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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50380205
PNG
(NYMPHAEOL A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#8])c1 |r|
Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s1
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n/an/a 2.28E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeOSuc-AAPV-pNA as substrate measured after 30 mins by spectrometric method


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50278916
PNG
(CHEMBL4167477)
Show SMILES COc1cc(cc(OC)c1O)[C@@H]1CC(=O)c2c(O)c(C\C=C(/C)CCCC(C)(C)O)c(O)cc2O1 |r|
Show InChI InChI=1S/C27H34O8/c1-15(7-6-10-27(2,3)32)8-9-17-18(28)13-21-24(25(17)30)19(29)14-20(35-21)16-11-22(33-4)26(31)23(12-16)34-5/h8,11-13,20,28,30-32H,6-7,9-10,14H2,1-5H3/b15-8+/t20-/m0/s1
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n/an/a 2.33E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeOSuc-AAPV-pNA as substrate measured after 30 mins by spectrometric method


J Nat Prod 80: 2659-2665 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00325
BindingDB Entry DOI: 10.7270/Q2RX9FK5
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50478312
PNG
(CHEMBL260776 | O-Ethylbakuchiol)
Show SMILES [#6]-[#6]-[#8]-c1ccc(\[#6]=[#6]\[C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6]=[#6])cc1
Show InChI InChI=1S/C20H28O/c1-6-20(5,15-8-9-17(3)4)16-14-18-10-12-19(13-11-18)21-7-2/h6,9-14,16H,1,7-8,15H2,2-5H3/b16-14+/t20-/m1/s1
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n/an/a 2.63E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 activation in human AGS cells by reporter gene assay


Bioorg Med Chem Lett 18: 2619-23 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.028
BindingDB Entry DOI: 10.7270/Q2Z322FR
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol 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 triacylglycerol 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 triacylglycerol 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
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