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Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'oberlies' and Initial = 'nh'   
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
TAK1/TAB1


(Homo sapiens (Human))
BDBM50042034
PNG
((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:19,t:10|
Show InChI InChI=1/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/s2
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n/an/a 8.10n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin) expressed in sf9 cells assessed as 32P level incorporation into myelin basic protein incubated for 5 mins at 30 d...


Bioorg Med Chem 23: 6993-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TAK1/TAB1


(Homo sapiens (Human))
BDBM50042034
PNG
((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:19,t:10|
Show InChI InChI=1/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/s2
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n/an/a 11n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 23: 6993-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM50020375
PNG
(CHEMBL3289785)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CSC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C |r|
Show InChI InChI=1S/C38H58N10O12S/c1-18(2)11-22-33(55)44-24(12-21-9-7-6-8-10-21)38(60)61-17-27(36(58)46-26(16-50)35(57)45-25(15-49)34(56)42-22)47-31(53)20(5)41-32(54)23(13-28(40)51)43-37(59)30(19(3)4)48-29(52)14-39/h6-10,18-20,22-27,30,49-50H,11-17,39H2,1-5H3,(H2,40,51)(H,41,54)(H,42,56)(H,43,59)(H,44,55)(H,45,57)(H,46,58)(H,47,53)(H,48,52)/t20-,22-,23-,24-,25-,26-,27-,30-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)


Article DOI: 10.1021/np5000704
BindingDB Entry DOI: 10.7270/Q21V5GJD
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50129131
PNG
(CHEBI:83275 | HYPOTHEMYCIN | Hypothemycin)
Show SMILES [H][C@@]12C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC(=O)c3c(O)cc(OC)cc3[C@@]1([H])O2 |r,c:9|
Show InChI InChI=1/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/b5-3-/t9-,14-,15+,17+,18+/s2
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n/an/a 33n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 23: 6993-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50196926
PNG
(CHEMBL438139 | Rocaglamide | US10085988, Compound ...)
Show SMILES COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C |r|
Show InChI InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1
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n/an/a 75n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA


J Nat Prod 74: 1126-31 (2011)


Article DOI: 10.1021/np200062x
BindingDB Entry DOI: 10.7270/Q25M6621
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50129130
PNG
(CHEMBL3629241)
Show SMILES COC1=CC(O)C2=C(\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O)C1(F)F |r,c:17,t:2,6,8|
Show InChI InChI=1/C19H22F2O7/c1-10-5-3-7-12(22)17(25)13(23)8-4-6-11-16(18(26)28-10)14(24)9-15(27-2)19(11,20)21/h3-4,6-7,9-10,13-14,17,23-25H,5,8H2,1-2H3/b6-4+,7-3-/t10-,13-,14?,17+/s2
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n/an/a 77n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 23: 6993-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50336457
PNG
((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA


J Nat Prod 74: 1126-31 (2011)


Article DOI: 10.1021/np200062x
BindingDB Entry DOI: 10.7270/Q25M6621
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50129129
PNG
(CHEMBL3629242)
Show SMILES COc1cc(O)c2c(\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O)c1Br |r,c:17,t:8|
Show InChI InChI=1/C19H21BrO7/c1-10-5-3-7-12(21)18(24)13(22)8-4-6-11-16(19(25)27-10)14(23)9-15(26-2)17(11)20/h3-4,6-7,9-10,13,18,22-24H,5,8H2,1-2H3/b6-4+,7-3-/t10-,13-,18+/s2
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n/an/a 360n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 23: 6993-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50129128
PNG
(CHEMBL3629243)
Show SMILES [H][C@]12C\C=C\c3cc(OC)cc(O)c3C(=O)O[C@@H](C)C\C=C/C(=O)[C@@]1([H])OC(C)(C)O2 |r,c:21,t:3|
Show InChI InChI=1/C22H26O7/c1-13-7-5-9-16(23)20-18(28-22(2,3)29-20)10-6-8-14-11-15(26-4)12-17(24)19(14)21(25)27-13/h5-6,8-9,11-13,18,20,24H,7,10H2,1-4H3/b8-6+,9-5-/t13-,18-,20+/s2
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n/an/a 380n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 23: 6993-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50347543
PNG
(CHEMBL1801948)
Show SMILES C[C@H]1CCCC(=O)C(=O)C(=O)CCCc2cc(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H20O7/c1-10-4-2-6-13(20)17(23)14(21)7-3-5-11-8-12(19)9-15(22)16(11)18(24)25-10/h8-10,19,22H,2-7H2,1H3/t10-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA


J Nat Prod 74: 1126-31 (2011)


Article DOI: 10.1021/np200062x
BindingDB Entry DOI: 10.7270/Q25M6621
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2B1


(Homo sapiens (Human))
BDBM50088491
PNG
(SILYBIN B | Silybin B)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/s2
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n/an/a 800n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of OATP2B1 (unknown origin) expressed in MDCK2 cells assessed as reduction of [3H]estrone-3-sulfate uptake after 3 mins by beta-counting


Drug Metab Dispos 41: 958-65 (2013)


Article DOI: 10.1124/dmd.112.048272
BindingDB Entry DOI: 10.7270/Q2PK0HWJ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50129127
PNG
(CHEMBL3629244)
Show SMILES [H][C@@]12C[C@H](O)[C@H](O)C(=O)\C=C\C[C@H](C)OC(=O)c3c(O)cc(OC)cc3[C@@]1([H])O2 |r,t:9|
Show InChI InChI=1/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/b5-3+/t9-,14-,15+,17+,18+/s2
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n/an/a 990n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 23: 6993-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50129126
PNG
((5E)-7-Oxozeaenol | CHEBI:67558 | CHEMBL1801950)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C\C[C@H](C)OC2=O |r,t:10,19|
Show InChI InChI=1/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3+/t11-,15-,18+/s2
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 23: 6993-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TAK1/TAB1


(Homo sapiens (Human))
BDBM50129125
PNG
(CHEMBL3629245)
Show SMILES COc1cc2\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC(=O)c2c(O)c1Br |r,c:14,t:5|
Show InChI InChI=1/C19H21BrO7/c1-10-5-3-7-12(21)17(23)13(22)8-4-6-11-9-14(26-2)16(20)18(24)15(11)19(25)27-10/h3-4,6-7,9-10,13,17,22-24H,5,8H2,1-2H3/b6-4+,7-3-/t10-,13-,17+/s2
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 23: 6993-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50347546
PNG
(CHEMBL1801951)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O |r,t:10|
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h4,6,9-11,15,18,21-23H,3,5,7-8H2,1-2H3/b6-4+/t11-,15-,18+/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 23: 6993-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (OATP1B3)


(Homo sapiens (Human))
BDBM50442881
PNG
(SILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25-/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of OATP1B3 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]estradiol-17beta-glucuronide uptake after 3 mins by bet...


Drug Metab Dispos 41: 958-65 (2013)


Article DOI: 10.1124/dmd.112.048272
BindingDB Entry DOI: 10.7270/Q2PK0HWJ
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2B1


(Homo sapiens (Human))
BDBM50061554
PNG
((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of OATP2B1 (unknown origin) expressed in MDCK2 cells assessed as reduction of [3H]estrone-3-sulfate uptake after 3 mins by beta-counting


Drug Metab Dispos 41: 958-65 (2013)


Article DOI: 10.1124/dmd.112.048272
BindingDB Entry DOI: 10.7270/Q2PK0HWJ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B2


J Nat Prod 76: 382-7 (2013)


Article DOI: 10.1021/np300749w
BindingDB Entry DOI: 10.7270/Q2TX3GQQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Solute carrier organic anion transporter family member 2B1


(Homo sapiens (Human))
BDBM50442881
PNG
(SILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of OATP2B1 (unknown origin) expressed in MDCK2 cells assessed as reduction of [3H]estrone-3-sulfate uptake after 3 mins by beta-counting


Drug Metab Dispos 41: 958-65 (2013)


Article DOI: 10.1124/dmd.112.048272
BindingDB Entry DOI: 10.7270/Q2PK0HWJ
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (OATP1B3)


(Homo sapiens (Human))
BDBM50088491
PNG
(SILYBIN B | Silybin B)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/s2
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of OATP1B3 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]estradiol-17beta-glucuronide uptake after 3 mins by bet...


Drug Metab Dispos 41: 958-65 (2013)


Article DOI: 10.1124/dmd.112.048272
BindingDB Entry DOI: 10.7270/Q2PK0HWJ
More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM50020376
PNG
(CHEBI:81348 | CHEMBL290932)
Show SMILES OCc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2
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n/an/a 8.10E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)


Article DOI: 10.1021/np5000704
BindingDB Entry DOI: 10.7270/Q21V5GJD
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM60989
PNG
((3S)-2-[(2S,3S)-2-(hydroxymethyl)-3-(3-methoxy-4-o...)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1CO)C1Oc2cc(O)cc(O)c2C(O)C1=O
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25?/m0/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in pooled human liver microsomes assessed as reduction in enzyme-mediated (S)-warfarin 7-hydroxylation by HPLC/MS-MS method


Bioorg Med Chem 21: 742-7 (2013)


Article DOI: 10.1016/j.bmc.2012.11.035
BindingDB Entry DOI: 10.7270/Q23R0V65
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (OATP1B1)


(Homo sapiens (Human))
BDBM50088491
PNG
(SILYBIN B | Silybin B)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/s2
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n/an/a 8.50E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]estradiol-17beta-glucuronide uptake after 3 mins by bet...


Drug Metab Dispos 41: 958-65 (2013)


Article DOI: 10.1124/dmd.112.048272
BindingDB Entry DOI: 10.7270/Q2PK0HWJ
More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM50020377
PNG
(CHEMBL3289786)
Show SMILES C[C@H](O)Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 |r|
Show InChI InChI=1S/C17H14O6/c1-7(18)2-8-3-10-14(12(20)4-8)17(23)15-11(16(10)22)5-9(19)6-13(15)21/h3-7,18-21H,2H2,1H3/t7-/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)


Article DOI: 10.1021/np5000704
BindingDB Entry DOI: 10.7270/Q21V5GJD
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50129124
PNG
(CHEMBL3629246)
Show SMILES COc1c(Br)c(O)c2c(\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O)c1Br |r,c:18,t:9|
Show InChI InChI=1/C19H20Br2O7/c1-9-5-3-7-11(22)16(24)12(23)8-4-6-10-13(19(26)28-9)17(25)15(21)18(27-2)14(10)20/h3-4,6-7,9,12,16,23-25H,5,8H2,1-2H3/b6-4+,7-3-/t9-,12-,16+/s2
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n/an/a 8.90E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 23: 6993-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (OATP1B1)


(Homo sapiens (Human))
BDBM50061554
PNG
((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]estradiol-17beta-glucuronide uptake after 3 mins by bet...


Drug Metab Dispos 41: 958-65 (2013)


Article DOI: 10.1124/dmd.112.048272
BindingDB Entry DOI: 10.7270/Q2PK0HWJ
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (OATP1B1)


(Homo sapiens (Human))
BDBM50442881
PNG
(SILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25-/m1/s1
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n/an/a 9.70E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]estradiol-17beta-glucuronide uptake after 3 mins by bet...


Drug Metab Dispos 41: 958-65 (2013)


Article DOI: 10.1124/dmd.112.048272
BindingDB Entry DOI: 10.7270/Q2PK0HWJ
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50347544
PNG
(ZEAENOL)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)[C@@H](O)\C=C\C[C@H](C)OC2=O |r,t:10,19|
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,14-15,18,20-23H,5,8H2,1-2H3/b6-4+,7-3+/t11-,14-,15-,18+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 23: 6993-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50336457
PNG
((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1
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n/an/a 1.15E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA


J Nat Prod 74: 1126-31 (2011)


Article DOI: 10.1021/np200062x
BindingDB Entry DOI: 10.7270/Q25M6621
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50428912
PNG
(Betulinan C | CHEMBL2331809)
Show SMILES COC1=C(C(=O)C=C(C1=O)c1ccccc1)c1ccccc1 |c:6,t:2|
Show InChI InChI=1S/C19H14O3/c1-22-19-17(14-10-6-3-7-11-14)16(20)12-15(18(19)21)13-8-4-2-5-9-13/h2-12H,1H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B2


J Nat Prod 76: 382-7 (2013)


Article DOI: 10.1021/np300749w
BindingDB Entry DOI: 10.7270/Q2TX3GQQ
More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 1.71E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)


Article DOI: 10.1021/np5000704
BindingDB Entry DOI: 10.7270/Q21V5GJD
More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM50020378
PNG
(CHEMBL3289787)
Show SMILES CC(=O)Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C17H12O6/c1-7(18)2-8-3-10-14(12(20)4-8)17(23)15-11(16(10)22)5-9(19)6-13(15)21/h3-6,19-21H,2H2,1H3
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n/an/a 1.98E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)


Article DOI: 10.1021/np5000704
BindingDB Entry DOI: 10.7270/Q21V5GJD
More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM50020379
PNG
(CHEMBL3289788)
Show SMILES C[C@@H](O)[C@@H](O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 |r|
Show InChI InChI=1S/C17H14O7/c1-6(18)15(22)7-2-9-13(11(20)3-7)17(24)14-10(16(9)23)4-8(19)5-12(14)21/h2-6,15,18-22H,1H3/t6-,15-/m1/s1
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n/an/a 2.65E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)


Article DOI: 10.1021/np5000704
BindingDB Entry DOI: 10.7270/Q21V5GJD
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50129083
PNG
(CHEMBL3628303)
Show SMILES [H][C@]12C\C=C\C3=CC(OC)=CC(O)C3C(=O)O[C@@H](C)CC(CC(=O)[C@H]1O)O2 |r,c:9,t:3,5|
Show InChI InChI=1/C19H24O7/c1-10-6-13-9-15(21)18(22)16(26-13)5-3-4-11-7-12(24-2)8-14(20)17(11)19(23)25-10/h3-4,7-8,10,13-14,16-18,20,22H,5-6,9H2,1-2H3/b4-3+/t10-,13?,14?,16-,17?,18+/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 23: 6993-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50129084
PNG
(CHEMBL3629248)
Show SMILES COC(=O)c1c(OC)cc(OC)cc1\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C=C/C |r|
Show InChI InChI=1/C21H26O7/c1-5-6-7-10-16(22)20(24)17(23)11-8-9-14-12-15(26-2)13-18(27-3)19(14)21(25)28-4/h5-10,12-13,17,20,23-24H,11H2,1-4H3/b6-5+,9-8+,10-7-/t17-,20+/s2
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University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 23: 6993-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50129085
PNG
(CHEMBL3334712)
Show SMILES COc1cc(O)cc2CC(=O)\C=C\CCCCC[C@H](C)OC(=O)c12 |r,t:11|
Show InChI InChI=1/C19H24O5/c1-13-8-6-4-3-5-7-9-15(20)10-14-11-16(21)12-17(23-2)18(14)19(22)24-13/h7,9,11-13,21H,3-6,8,10H2,1-2H3/b9-7+/t13-/s2
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University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 23: 6993-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50129086
PNG
(CHEMBL3629247)
Show SMILES [H][C@@]12C[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC(=O)c3c(O)cc(OC)cc3[C@@]1([H])O2 |r|
Show InChI InChI=1/C19H24O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h6-7,9,14-15,17-18,21-23H,3-5,8H2,1-2H3/t9-,14-,15+,17+,18+/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 23: 6993-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM50020380
PNG
(CHEMBL3289789)
Show SMILES CC(=O)C(O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C17H12O7/c1-6(18)15(22)7-2-9-13(11(20)3-7)17(24)14-10(16(9)23)4-8(19)5-12(14)21/h2-5,15,19-22H,1H3
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n/an/a 3.01E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)


Article DOI: 10.1021/np5000704
BindingDB Entry DOI: 10.7270/Q21V5GJD
More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM115127
PNG
(4,5,7-trihydroxy-9,10-diketo-anthracene-2-carboxyl...)
Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22)
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n/an/a 3.06E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)


Article DOI: 10.1021/np5000704
BindingDB Entry DOI: 10.7270/Q21V5GJD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50428913
PNG
(CHEMBL2331810)
Show SMILES COc1c(O)c(cc(O)c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16O3/c1-22-19-17(14-10-6-3-7-11-14)16(20)12-15(18(19)21)13-8-4-2-5-9-13/h2-12,20-21H,1H3
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B2


J Nat Prod 76: 382-7 (2013)


Article DOI: 10.1021/np300749w
BindingDB Entry DOI: 10.7270/Q2TX3GQQ
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (OATP1B3)


(Homo sapiens (Human))
BDBM50061554
PNG
((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1
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n/an/a 3.64E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of OATP1B3 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]estradiol-17beta-glucuronide uptake after 3 mins by bet...


Drug Metab Dispos 41: 958-65 (2013)


Article DOI: 10.1124/dmd.112.048272
BindingDB Entry DOI: 10.7270/Q2PK0HWJ
More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM50312649
PNG
(6-chloro-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydroa...)
Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)c(Cl)c(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H7ClO7/c16-11-8(18)3-6-10(14(11)21)13(20)9-5(12(6)19)1-4(15(22)23)2-7(9)17/h1-3,17-18,21H,(H,22,23)
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n/an/a 3.78E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)


Article DOI: 10.1021/np5000704
BindingDB Entry DOI: 10.7270/Q21V5GJD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50428914
PNG
(BETULINAN A)
Show SMILES COC1=C(C(=O)C(OC)=C(C1=O)c1ccccc1)c1ccccc1 |c:8,t:2|
Show InChI InChI=1S/C20H16O4/c1-23-19-15(13-9-5-3-6-10-13)18(22)20(24-2)16(17(19)21)14-11-7-4-8-12-14/h3-12H,1-2H3
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B2


J Nat Prod 76: 382-7 (2013)


Article DOI: 10.1021/np300749w
BindingDB Entry DOI: 10.7270/Q2TX3GQQ
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50347545
PNG
(CHEMBL1801949)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)[C@H](O)\C=C\C[C@H](C)OC2=O |r,t:10,19|
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,14-15,18,20-23H,5,8H2,1-2H3/b6-4+,7-3+/t11-,14+,15-,18+/m0/s1
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University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA


J Nat Prod 74: 1126-31 (2011)


Article DOI: 10.1021/np200062x
BindingDB Entry DOI: 10.7270/Q25M6621
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50347544
PNG
(ZEAENOL)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)[C@@H](O)\C=C\C[C@H](C)OC2=O |r,t:10,19|
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,14-15,18,20-23H,5,8H2,1-2H3/b6-4+,7-3+/t11-,14-,15-,18+/m0/s1
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University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA


J Nat Prod 74: 1126-31 (2011)


Article DOI: 10.1021/np200062x
BindingDB Entry DOI: 10.7270/Q25M6621
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50347546
PNG
(CHEMBL1801951)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O |r,t:10|
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h4,6,9-11,15,18,21-23H,3,5,7-8H2,1-2H3/b6-4+/t11-,15-,18+/m0/s1
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University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA


J Nat Prod 74: 1126-31 (2011)


Article DOI: 10.1021/np200062x
BindingDB Entry DOI: 10.7270/Q25M6621
More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM50020389
PNG
(CHEMBL3289790)
Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)c(O)c(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H8O8/c16-7-2-4(15(22)23)1-5-9(7)13(20)10-6(11(5)18)3-8(17)12(19)14(10)21/h1-3,16-17,19,21H,(H,22,23)
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n/an/a 1.20E+5n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)


Article DOI: 10.1021/np5000704
BindingDB Entry DOI: 10.7270/Q21V5GJD
More data for this
Ligand-Target Pair