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73 similar compounds to monomer 19461

Wt: 286.2
BDBM19462
Wt: 314.3
BDBM19463
Wt: 342.3
BDBM19464
Wt: 370.4
BDBM19465
Wt: 398.4
BDBM19466
Wt: 426.5
BDBM19467
Wt: 342.3
BDBM19468
Wt: 328.3
BDBM19469
Wt: 342.3
BDBM19470
Wt: 362.3
BDBM19471
Wt: 302.2
BDBM23418
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Wt: 272.2
BDBM23419
Purchase
Wt: 256.2
BDBM26666
Purchase
Wt: 256.2
BDBM26667
Purchase
Wt: 208.2
BDBM32245
Purchase
Displayed 1 to 15 (of 73 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 78 hits for monomerid = 19462,19463,19464,19465,19466,19467,19468,19469,19470,19471,23418,23419,26666,26667,32245   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM23418
PNG
((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...)
Show SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
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PubMed
3.30n/an/an/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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44n/an/an/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration ass...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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80n/an/an/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM23418
PNG
((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...)
Show SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
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102n/an/an/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM23418
PNG
((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...)
Show SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
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454n/an/an/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration ass...


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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PubMed
2.40E+3n/an/an/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 transfected in human HeLa cells assessed as inhibition of [3H]LTC4 transport by rapid filtration assay


J Med Chem 52: 5311-22 (2009)

More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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3.43E+3n/an/an/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate


Bioorg Med Chem 17: 530-6 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM23418
PNG
((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...)
Show SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM23418
PNG
((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...)
Show SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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2.08E+4n/an/an/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake (+3mM GSH) in membrane vesicle from MRP1-expressing HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor alpha (ERα)


(Homo sapiens (Human))
BDBM19462
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methyl-3,4-dih...)
Show SMILES Cc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C16H14O5/c1-8-11(18)6-12(19)15-13(20)7-14(21-16(8)15)9-2-4-10(17)5-3-9/h2-6,14,17-19H,7H2,1H3
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n/an/a 5.25E+3n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor alpha (ERα)


(Homo sapiens (Human))
BDBM19463
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-8-propyl-3,4-dih...)
Show SMILES CCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C18H18O5/c1-2-3-12-13(20)8-14(21)17-15(22)9-16(23-18(12)17)10-4-6-11(19)7-5-10/h4-8,16,19-21H,2-3,9H2,1H3
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n/an/a 155n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor alpha (ERα)


(Homo sapiens (Human))
BDBM19464
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-8-pentyl-3,4-dih...)
Show SMILES CCCCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H22O5/c1-2-3-4-5-14-15(22)10-16(23)19-17(24)11-18(25-20(14)19)12-6-8-13(21)9-7-12/h6-10,18,21-23H,2-5,11H2,1H3
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n/an/a 383n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor alpha (ERα)


(Homo sapiens (Human))
BDBM19465
PNG
(8-Alkylnaringenin, 8d | 8-heptyl-5,7-dihydroxy-2-(...)
Show SMILES CCCCCCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C22H26O5/c1-2-3-4-5-6-7-16-17(24)12-18(25)21-19(26)13-20(27-22(16)21)14-8-10-15(23)11-9-14/h8-12,20,23-25H,2-7,13H2,1H3
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n/an/a 392n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor alpha (ERα)


(Homo sapiens (Human))
BDBM19466
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-8-nonyl-3,4-dihy...)
Show SMILES CCCCCCCCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C24H30O5/c1-2-3-4-5-6-7-8-9-18-19(26)14-20(27)23-21(28)15-22(29-24(18)23)16-10-12-17(25)13-11-16/h10-14,22,25-27H,2-9,15H2,1H3
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n/an/a 436n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor alpha (ERα)


(Homo sapiens (Human))
BDBM19467
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-8-undecyl-3,4-di...)
Show SMILES CCCCCCCCCCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C26H34O5/c1-2-3-4-5-6-7-8-9-10-11-20-21(28)16-22(29)25-23(30)17-24(31-26(20)25)18-12-14-19(27)15-13-18/h12-16,24,27-29H,2-11,17H2,1H3
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n/an/a 1.02E+3n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor alpha (ERα)


(Homo sapiens (Human))
BDBM19468
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbutyl...)
Show SMILES CC(C)CCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H22O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h4-7,9,11,18,21-23H,3,8,10H2,1-2H3
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n/an/a 140n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor alpha (ERα)


(Homo sapiens (Human))
BDBM19469
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(2-methylpropy...)
Show SMILES CC(C)Cc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C19H20O5/c1-10(2)7-13-14(21)8-15(22)18-16(23)9-17(24-19(13)18)11-3-5-12(20)6-4-11/h3-6,8,10,17,20-22H,7,9H2,1-2H3
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n/an/a 80n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor alpha (ERα)


(Homo sapiens (Human))
BDBM19470
PNG
(8-(2,2-dimethylpropyl)-5,7-dihydroxy-2-(4-hydroxyp...)
Show SMILES CC(C)(C)Cc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H22O5/c1-20(2,3)10-13-14(22)8-15(23)18-16(24)9-17(25-19(13)18)11-4-6-12(21)7-5-11/h4-8,17,21-23H,9-10H2,1-3H3
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n/an/a 216n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor alpha (ERα)


(Homo sapiens (Human))
BDBM19471
PNG
(8-Alkylnaringenin, 8j | 8-benzyl-5,7-dihydroxy-2-(...)
Show SMILES Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)c(Cc3ccccc3)c2O1
Show InChI InChI=1S/C22H18O5/c23-15-8-6-14(7-9-15)20-12-19(26)21-18(25)11-17(24)16(22(21)27-20)10-13-4-2-1-3-5-13/h1-9,11,20,23-25H,10,12H2
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n/an/a 503n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19462
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methyl-3,4-dih...)
Show SMILES Cc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C16H14O5/c1-8-11(18)6-12(19)15-13(20)7-14(21-16(8)15)9-2-4-10(17)5-3-9/h2-6,14,17-19H,7H2,1H3
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n/an/a 863n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19463
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-8-propyl-3,4-dih...)
Show SMILES CCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C18H18O5/c1-2-3-12-13(20)8-14(21)17-15(22)9-16(23-18(12)17)10-4-6-11(19)7-5-10/h4-8,16,19-21H,2-3,9H2,1H3
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n/an/a 29n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19464
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-8-pentyl-3,4-dih...)
Show SMILES CCCCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H22O5/c1-2-3-4-5-14-15(22)10-16(23)19-17(24)11-18(25-20(14)19)12-6-8-13(21)9-7-12/h6-10,18,21-23H,2-5,11H2,1H3
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n/an/a 97n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19465
PNG
(8-Alkylnaringenin, 8d | 8-heptyl-5,7-dihydroxy-2-(...)
Show SMILES CCCCCCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C22H26O5/c1-2-3-4-5-6-7-16-17(24)12-18(25)21-19(26)13-20(27-22(16)21)14-8-10-15(23)11-9-14/h8-12,20,23-25H,2-7,13H2,1H3
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n/an/a 69n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19466
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-8-nonyl-3,4-dihy...)
Show SMILES CCCCCCCCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C24H30O5/c1-2-3-4-5-6-7-8-9-18-19(26)14-20(27)23-21(28)15-22(29-24(18)23)16-10-12-17(25)13-11-16/h10-14,22,25-27H,2-9,15H2,1H3
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n/an/a 113n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19467
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-8-undecyl-3,4-di...)
Show SMILES CCCCCCCCCCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C26H34O5/c1-2-3-4-5-6-7-8-9-10-11-20-21(28)16-22(29)25-23(30)17-24(31-26(20)25)18-12-14-19(27)15-13-18/h12-16,24,27-29H,2-11,17H2,1H3
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n/an/a 421n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19468
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbutyl...)
Show SMILES CC(C)CCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H22O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h4-7,9,11,18,21-23H,3,8,10H2,1-2H3
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n/an/a 59n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19469
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(2-methylpropy...)
Show SMILES CC(C)Cc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C19H20O5/c1-10(2)7-13-14(21)8-15(22)18-16(23)9-17(24-19(13)18)11-3-5-12(20)6-4-11/h3-6,8,10,17,20-22H,7,9H2,1-2H3
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n/an/a 37n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19470
PNG
(8-(2,2-dimethylpropyl)-5,7-dihydroxy-2-(4-hydroxyp...)
Show SMILES CC(C)(C)Cc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H22O5/c1-20(2,3)10-13-14(22)8-15(23)18-16(24)9-17(25-19(13)18)11-4-6-12(21)7-5-11/h4-8,17,21-23H,9-10H2,1-3H3
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n/an/a 141n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19471
PNG
(8-Alkylnaringenin, 8j | 8-benzyl-5,7-dihydroxy-2-(...)
Show SMILES Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)c(Cc3ccccc3)c2O1
Show InChI InChI=1S/C22H18O5/c23-15-8-6-14(7-9-15)20-12-19(26)21-18(25)11-17(24)16(22(21)27-20)10-13-4-2-1-3-5-13/h1-9,11,20,23-25H,10,12H2
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n/an/a 244n/an/an/an/a7.622



Ghent University



Assay Description
Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot...


J Med Chem 49: 7357-65 (2006)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM23418
PNG
((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...)
Show SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
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n/an/an/an/an/an/an/a6.022



Nestle Research Center



Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


J Med Chem 51: 3555-61 (2008)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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n/an/an/an/an/an/an/a6.022



Nestle Research Center



Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


J Med Chem 51: 3555-61 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM26666
PNG
((2R)-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzo...)
Show SMILES Oc1cc(O)c2C(=O)C[C@@H](Oc2c1)c1ccccc1
Show InChI InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m1/s1
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n/an/a 6.02E+4n/an/an/an/a7.030



Loma Linda University



Assay Description
The 96-well flat-bottomed plates were coated with recombinant GST-BAD. After the plates were blocked, the reaction buffer containing test compound an...


Mol Cancer Ther 6: 163-72 (2007)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM26667
PNG
((2S)-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzo...)
Show SMILES Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1
Show InChI InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1
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n/an/a 1.07E+5n/an/an/an/a7.030



Loma Linda University



Assay Description
The 96-well flat-bottomed plates were coated with recombinant GST-BAD. After the plates were blocked, the reaction buffer containing test compound an...


Mol Cancer Ther 6: 163-72 (2007)

More data for this
Ligand-Target Pair
Heat shock protein HSP90


(Homo sapiens (human))
BDBM32245
PNG
(2,2-dimethyl-5,7-bis(oxidanyl)-3H-chromen-4-one | ...)
Show SMILES CC1(C)CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C11H12O4/c1-11(2)5-8(14)10-7(13)3-6(12)4-9(10)15-11/h3-4,12-13H,5H2,1-2H3
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n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM23418
PNG
((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...)
Show SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
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n/an/a 5.46E+4n/an/an/an/an/a37



Eberhard Karls University of Tuebingen



Assay Description
The p38alpha reaction was carried out by using kinase (12ng per well), ATP (100uM) and incubated for 60 min at 37 C. For the JNK3 assay, kinase (10n...


Chembiochem 11: 2579-88 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM26667
PNG
((2S)-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzo...)
Show SMILES Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1
Show InChI InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1
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n/an/a 1.07E+5n/an/an/an/an/an/a



Loma Linda University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase


Bioorg Med Chem 15: 6463-73 (2007)

Checked by Author
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM26666
PNG
((2R)-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzo...)
Show SMILES Oc1cc(O)c2C(=O)C[C@@H](Oc2c1)c1ccccc1
Show InChI InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m1/s1
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PubMed
n/an/a 6.03E+4n/an/an/an/an/an/a



Loma Linda University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PIM1 kinase


Bioorg Med Chem 15: 6463-73 (2007)

Checked by Author
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior t...


Bioorg Med Chem 22: 3146-58 (2014)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase strand transfer activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior...


Bioorg Med Chem 22: 3146-58 (2014)

More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of aromatase from human placental microsomes


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Hawaii at Manoa

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) using dibenzylfluorescein substrate after 24 hrs by fluorescence assay


J Nat Prod 77: 1644-9 (2014)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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n/an/a>1.00E+5n/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens)
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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PubMed
n/an/a 2.15E+4n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate


Bioorg Med Chem 17: 530-6 (2009)

More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human MCF7 cells using [1beta-3H]androstenedione as substrate measured after 1 hr by liquid scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of aromatase (unknown origin) preincubated for 10 mins in presence of NADPH generating system followed by addition of dibenzylfluorescein ...


Citation and Details
More data for this
Ligand-Target Pair
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