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20 similar compounds to monomer 50441633

Compile data set for download or QSAR
Wt: 392.4
BDBM70842
Purchase
Wt: 238.2
BDBM94552
Wt: 240.2
BDBM50042987
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Wt: 256.2
BDBM50042976
Purchase
Wt: 272.2
BDBM50042993
Purchase
Wt: 256.2
BDBM50042944
Purchase
Wt: 340.3
BDBM50121025
Wt: 336.4
BDBM50141493
Wt: 324.3
BDBM50212400
Wt: 340.3
BDBM50251013
Purchase
Wt: 406.5
BDBM50241807
Wt: 338.3
BDBM50352809
Wt: 324.3
BDBM50358098
Wt: 340.3
BDBM50358099
Purchase
Wt: 370.3
BDBM50359848
Purchase
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 70842,94552,50042987,50042976,50042993,50042944,50121025,50141493,50212400,50251013,50241807,50352809,50358098,50358099,50359848   
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
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM50352809
PNG
(CHEMBL458094)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1CC=C(C)C
Show InChI InChI=1S/C21H22O4/c1-14(2)4-10-18-20(25-3)13-11-17(21(18)24)19(23)12-7-15-5-8-16(22)9-6-15/h4-9,11-13,22,24H,10H2,1-3H3/b12-7+
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5.02E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...


Bioorg Med Chem Lett 21: 5602-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.130
BindingDB Entry DOI: 10.7270/Q2571CDW
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50042976
PNG
((E)-3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
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n/an/a 2.54E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in HEK293 cells assessed as reduction in 2-deoxyglucose uptake pretreated for 10 mins followed by 2-deoxyglucose ...


J Med Chem 60: 568-579 (2017)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM70842
PNG
((E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-bi...)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O
Show InChI InChI=1S/C25H28O4/c1-17(2)5-4-6-18(3)7-13-21-24(28)16-14-22(25(21)29)23(27)15-10-19-8-11-20(26)12-9-19/h5,7-12,14-16,26,28-29H,4,6,13H2,1-3H3/b15-10+,18-7+
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n/an/a>1.65E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N82
More data for this
Ligand-Target Pair
perilipin-1


(Homo sapiens (Human))
BDBM94552
PNG
(1-(2-hydroxy-5-methyl-phenyl)-3-phenyl-prop-2-en-1...)
Show SMILES Cc1ccc(O)c(c1)C(=O)C=Cc1ccccc1
Show InChI InChI=1S/C16H14O2/c1-12-7-9-15(17)14(11-12)16(18)10-8-13-5-3-2-4-6-13/h2-11,17H,1H3
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n/an/a 2.46E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2CV4GBF
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens (Human))
BDBM94552
PNG
(1-(2-hydroxy-5-methyl-phenyl)-3-phenyl-prop-2-en-1...)
Show SMILES Cc1ccc(O)c(c1)C(=O)C=Cc1ccccc1
Show InChI InChI=1S/C16H14O2/c1-12-7-9-15(17)14(11-12)16(18)10-8-13-5-3-2-4-6-13/h2-11,17H,1H3
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n/an/a 3.15E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24B2ZW9
More data for this
Ligand-Target Pair
Probable global transcription activator SNF2L2


(Homo sapiens (Human))
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/an/an/a 9.11E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GF0S4R
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50042987
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-phenyl-propenone | ...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+
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n/an/a 1.10E+5n/an/an/an/a6.825



Shaoyang University



Assay Description
All compounds were dissolved in DMSO (final DMSO concentration in test solution was 2.0%). Phosphate buffer, pH 6.8, was use to dilute the DMSO stoc...


Chem Biol Drug Des 82: 39-47 (2013)


Article DOI: 10.1111/cbdd.12126
BindingDB Entry DOI: 10.7270/Q20C4TD7
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/a 3.30E+4n/an/an/an/a4.537



Shanghai Institute of Materia Medica, Chinese Academy of Sciences



Assay Description
The assay based on fluorescenceresonance energy transfer was carried out with BACE1 enzyme at pH 4.5 with a substrate, H-Lys(DABSYL)-SEVNLDAEFR-Gin-(...


J Enzyme Inhib Med Chem 26: 643-8 (2011)


Article DOI: 10.3109/14756366.2010.543420
BindingDB Entry DOI: 10.7270/Q2DR2TCJ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/a 3.50E+4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042976
PNG
((E)-3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
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n/an/a 1.40E+5n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042987
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-phenyl-propenone | ...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+
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n/an/a 4.00E+5n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042993
PNG
((2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl...)
Show SMILES Oc1ccc(\C=C\C(=O)c2c(O)cc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+
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n/an/a 1.00E+5n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50251013
PNG
(2,4,2',4'-tetrahydroxy-3'-prenylchalcone | CHEMBL4...)
Show SMILES CC(C)=CCc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2O)c1O
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 4.60E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of aromatase from human placental microsomes


J Nat Prod 64: 1286-93 (2001)


Article DOI: 10.1021/np010288l
BindingDB Entry DOI: 10.7270/Q2RB74C4
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50121025
PNG
((E)-1-[2,4-Dihydroxy-5-(3-methyl-but-2-enyl)-pheny...)
Show SMILES CC(C)=CCc1cc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)cc1O
Show InChI InChI=1S/C20H20O5/c1-12(2)3-6-14-10-15(19(24)11-18(14)23)16(21)7-4-13-5-8-17(22)20(25)9-13/h3-5,7-11,22-25H,6H2,1-2H3/b7-4+
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n/an/a 3.68E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
The inhibitory activity of the compound tested against human Protein-tyrosine phosphatase 1B enzyme


Bioorg Med Chem Lett 12: 3387-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00757-6
BindingDB Entry DOI: 10.7270/Q2HH6JF5
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/an/an/a 1.16E+4n/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human alpha7 nACHR expressed in Xenopus oocyte assessed as potentiation of 200 uM ACh-induced current at holding po...


Eur J Med Chem 86: 724-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.039
BindingDB Entry DOI: 10.7270/Q2PN977T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50042993
PNG
((2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl...)
Show SMILES Oc1ccc(\C=C\C(=O)c2c(O)cc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+
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n/an/an/an/a 4.00E+3n/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human alpha7 nACHR expressed in Xenopus oocyte assessed as potentiation of 200 uM ACh-induced current at holding po...


Eur J Med Chem 86: 724-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.039
BindingDB Entry DOI: 10.7270/Q2PN977T
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens (Human))
BDBM50141493
PNG
((E)-1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3-pheny...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C23H28O2/c1-22(2,3)18-14-17(15-19(21(18)25)23(4,5)6)20(24)13-12-16-10-8-7-9-11-16/h7-15,25H,1-6H3/b13-12+
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n/an/a 4.70E+4n/an/an/an/an/an/a



AtheroGenics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced VCAM-1 expression


Bioorg Med Chem Lett 14: 1513-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.021
BindingDB Entry DOI: 10.7270/Q2028QZK
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50352809
PNG
(CHEMBL458094)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1CC=C(C)C
Show InChI InChI=1S/C21H22O4/c1-14(2)4-10-18-20(25-3)13-11-17(21(18)24)19(23)12-7-15-5-8-16(22)9-6-15/h4-9,11-13,22,24H,10H2,1-3H3/b12-7+
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n/an/a 2.5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay


Bioorg Med Chem Lett 25: 2028-32 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.003
BindingDB Entry DOI: 10.7270/Q2XP76M3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50121025
PNG
((E)-1-[2,4-Dihydroxy-5-(3-methyl-but-2-enyl)-pheny...)
Show SMILES CC(C)=CCc1cc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)cc1O
Show InChI InChI=1S/C20H20O5/c1-12(2)3-6-14-10-15(19(24)11-18(14)23)16(21)7-4-13-5-8-17(22)20(25)9-13/h3-5,7-11,22-25H,6H2,1-2H3/b7-4+
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n/an/a 2.15E+4n/an/an/an/an/an/a



Guru Ghasidas Vishwavidyalaya (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Eur J Med Chem 92: 839-65 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.051
BindingDB Entry DOI: 10.7270/Q2NZ899Z
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50251013
PNG
(2,4,2',4'-tetrahydroxy-3'-prenylchalcone | CHEMBL4...)
Show SMILES CC(C)=CCc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2O)c1O
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
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50042976
PNG
((E)-3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
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n/an/a 1.20E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 15: 2396-402 (2007)


Article DOI: 10.1016/j.bmc.2007.01.017
BindingDB Entry DOI: 10.7270/Q2R78DWH
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM50352809
PNG
(CHEMBL458094)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1CC=C(C)C
Show InChI InChI=1S/C21H22O4/c1-14(2)4-10-18-20(25-3)13-11-17(21(18)24)19(23)12-7-15-5-8-16(22)9-6-15/h4-9,11-13,22,24H,10H2,1-3H3/b12-7+
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PubMed
n/an/a 4.21E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid ...


Bioorg Med Chem Lett 21: 5602-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.130
BindingDB Entry DOI: 10.7270/Q2571CDW
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50358098
PNG
(CHEMBL1915456)
Show SMILES CC(C)=CCc1cc(C(=O)\C=C\c2cccc(O)c2)c(O)cc1O
Show InChI InChI=1S/C20H20O4/c1-13(2)6-8-15-11-17(20(24)12-19(15)23)18(22)9-7-14-4-3-5-16(21)10-14/h3-7,9-12,21,23-24H,8H2,1-2H3/b9-7+
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n/an/a 8.59E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PKB/Akt1 incubated for 5 mins before eNOS substrate and ATP addition measured after 30 mins by kinase assay


Eur J Med Chem 46: 5949-58 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.006
BindingDB Entry DOI: 10.7270/Q2TD9XS3
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50358099
PNG
(CHEMBL466143)
Show SMILES CC(C)=CCc1c(O)cc(O)c(C(=O)\C=C\c2ccc(O)cc2)c1O
Show InChI InChI=1S/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/b10-6+
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n/an/a 1.44E+5n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PKB/Akt1 incubated for 5 mins before eNOS substrate and ATP addition measured after 30 mins by kinase assay


Eur J Med Chem 46: 5949-58 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.006
BindingDB Entry DOI: 10.7270/Q2TD9XS3
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50359848
PNG
(CHEMBL1928921)
Show SMILES Oc1cc(O)c(cc1C(=O)\C=C\c1ccccc1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C24H18O4/c25-21(13-11-17-7-3-1-4-8-17)19-15-20(24(28)16-23(19)27)22(26)14-12-18-9-5-2-6-10-18/h1-16,27-28H/b13-11+,14-12+
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n/an/a 5.44E+3n/an/an/an/an/an/a



National Cheng Kung University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse BV2 cells measured after 24 hrs of post-stimulation by Griess reaction me...


Eur J Med Chem 47: 97-103 (2012)


Article DOI: 10.1016/j.ejmech.2011.10.026
BindingDB Entry DOI: 10.7270/Q2ZG6SPW
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/a 320n/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase using D-glyceraldehyde as substrate preincubated for 10 mins before substrate addition measured for ...


Bioorg Med Chem 20: 1251-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.033
BindingDB Entry DOI: 10.7270/Q2639Q5V
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Compound concentration required to reduce HIV-1 Integrase 3'-processing activity by 50%


J Med Chem 41: 3948-60 (1998)


Article DOI: 10.1021/jm9707232
BindingDB Entry DOI: 10.7270/Q29024G3
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50212400
PNG
(1-(2,4-Dihydroxyphenyl)-3-[4-hydroxy-3-(3-methylbu...)
Show SMILES CC(C)=CCc1cc(\C=C\C(=O)c2ccc(O)cc2O)ccc1O
Show InChI InChI=1S/C20H20O4/c1-13(2)3-6-15-11-14(4-9-18(15)22)5-10-19(23)17-8-7-16(21)12-20(17)24/h3-5,7-12,21-22,24H,6H2,1-2H3/b10-5+
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n/an/a 1.69E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50212400
PNG
(1-(2,4-Dihydroxyphenyl)-3-[4-hydroxy-3-(3-methylbu...)
Show SMILES CC(C)=CCc1cc(\C=C\C(=O)c2ccc(O)cc2O)ccc1O
Show InChI InChI=1S/C20H20O4/c1-13(2)3-6-15-11-14(4-9-18(15)22)5-10-19(23)17-8-7-16(21)12-20(17)24/h3-5,7-12,21-22,24H,6H2,1-2H3/b10-5+
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n/an/a>3.08E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human aromatase


J Med Chem 50: 2799-806 (2007)


Article DOI: 10.1021/jm070109i
BindingDB Entry DOI: 10.7270/Q2668F0Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042993
PNG
((2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl...)
Show SMILES Oc1ccc(\C=C\C(=O)c2c(O)cc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+
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n/an/a 1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/a 3.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042976
PNG
((E)-3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
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n/an/a 1.40E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042987
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-phenyl-propenone | ...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+
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n/an/a 4.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B assessed as hydrolysis of p-nitrophenyl phosphate after 30 mins


Bioorg Med Chem Lett 19: 5155-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.054
BindingDB Entry DOI: 10.7270/Q24X58R7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50241807
PNG
(CHEMBL470865 | abyssinone-VI-4-O-methyl ether)
Show SMILES COc1c(CC=C(C)C)cc(\C=C\C(=O)c2ccc(O)cc2O)cc1CC=C(C)C
Show InChI InChI=1S/C26H30O4/c1-17(2)6-9-20-14-19(15-21(26(20)30-5)10-7-18(3)4)8-13-24(28)23-12-11-22(27)16-25(23)29/h6-8,11-16,27,29H,9-10H2,1-5H3/b13-8+
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n/an/a 1.48E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/a>6.00E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase (HIV-1-IN)


J Med Chem 45: 841-52 (2002)


Article DOI: 10.1021/jm010399h
BindingDB Entry DOI: 10.7270/Q28W3FGV
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/a 1.73E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat liver mitochondrial MAO-A using benzylamine hydrochloride as substrate after 1 hr by spectrophotometric analysis


Bioorg Med Chem Lett 26: 4599-4605 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.067
BindingDB Entry DOI: 10.7270/Q2CC12M3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/a 1.30E+5n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase activity in sheep seminal vesicle was determined 100 uM


J Med Chem 36: 3904-9 (1994)


Article DOI: 10.1021/jm00076a019
BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50042976
PNG
((E)-3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
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n/an/a 3.33E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as reduction in 2-deoxyglucose uptake pretreated for 10 mins followed by 2-deoxyglucose ...


J Med Chem 60: 568-579 (2017)

More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
BDBM94552
PNG
(1-(2-hydroxy-5-methyl-phenyl)-3-phenyl-prop-2-en-1...)
Show SMILES Cc1ccc(O)c(c1)C(=O)C=Cc1ccccc1
Show InChI InChI=1S/C16H14O2/c1-12-7-9-15(17)14(11-12)16(18)10-8-13-5-3-2-4-6-13/h2-11,17H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.01E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2736PH3
More data for this
Ligand-Target Pair