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9 similar compounds to monomer 35916

Compile data set for download or QSAR
Wt: 297.3
BDBM35891
Wt: 303.3
BDBM35893
Wt: 257.2
BDBM68846
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Wt: 255.2
BDBM93073
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Wt: 213.2
BDBM50337278
Purchase
Wt: 311.3
BDBM50385741
Wt: 255.2
BDBM50385715
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Wt: 227.2
BDBM50385717
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Wt: 257.2
BDBM50385718
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 35891,35893,68846,93073,50337278,50385741,50385715,50385717,50385718   
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 2


(Homo sapiens (human))
BDBM50337278
PNG
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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PubMed
38n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
BindingDB Entry DOI: 10.7270/Q2319X0G
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50337278
PNG
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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50n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
BindingDB Entry DOI: 10.7270/Q2319X0G
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50337278
PNG
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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50n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
BindingDB Entry DOI: 10.7270/Q2319X0G
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50337278
PNG
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
BindingDB Entry DOI: 10.7270/Q2319X0G
More data for this
Ligand-Target Pair
Anthranilate phosphoribosyltransferase (Mtb-AnPRT)


(Mycobacterium tuberculosis)
BDBM93073
PNG
(ACS No 172)
Show SMILES [O-]C(=O)c1ccccc1Nc1ccccc1C([O-])=O
Show InChI InChI=1S/C14H11NO4/c16-13(17)9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)/p-2
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1.50E+3n/an/an/an/an/an/an/an/a



University of Auckland



Assay Description
The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described. An enzyme-coupled absorbance-based assay...


Biochemistry 52: 1776-1787 (2013)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q2B56HBD
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50337278
PNG
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of AKR1C3 by fluorimetric method


Bioorg Med Chem Lett 21: 1464-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.010
BindingDB Entry DOI: 10.7270/Q24J0FD4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50337278
PNG
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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n/an/a 440n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of AKR1C2 by fluorimetric method


Bioorg Med Chem Lett 21: 1464-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.010
BindingDB Entry DOI: 10.7270/Q24J0FD4
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 1


(Homo sapiens (human))
BDBM50337278
PNG
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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PubMed
n/an/a 6.80E+4n/an/an/an/an/an/a



Guru Jambheshwar University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin) using acetylated lysine as substrate by Fluor de Lys assay


Eur J Med Chem 119: 45-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.063
BindingDB Entry DOI: 10.7270/Q2VH5QTW
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50337278
PNG
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50337278
PNG
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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n/an/a 440n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385715
PNG
(CHEMBL2043302)
Show SMILES CC(=O)c1ccc(Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C15H13NO3/c1-10(17)11-6-8-12(9-7-11)16-14-5-3-2-4-13(14)15(18)19/h2-9,16H,1H3,(H,18,19)
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n/an/a 400n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385717
PNG
(CHEMBL2043304)
Show SMILES Cc1ccc(Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C14H13NO2/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)
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n/an/a 1.46E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385718
PNG
(CHEMBL2043306)
Show SMILES OC(=O)c1ccc(Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C14H11NO4/c16-13(17)9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
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n/an/a 3.26E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50337278
PNG
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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n/an/a 6.80E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins b...


J Med Chem 55: 5760-73 (2012)


Article DOI: 10.1021/jm3002108
BindingDB Entry DOI: 10.7270/Q2WW7JRS
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385741
PNG
(CHEMBL2041004)
Show SMILES CC(=O)c1ccc(Nc2ccc(cc2)C(C)(C)C)c(c1)C(O)=O
Show InChI InChI=1S/C19H21NO3/c1-12(21)13-5-10-17(16(11-13)18(22)23)20-15-8-6-14(7-9-15)19(2,3)4/h5-11,20H,1-4H3,(H,22,23)
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n/an/a 280n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385741
PNG
(CHEMBL2041004)
Show SMILES CC(=O)c1ccc(Nc2ccc(cc2)C(C)(C)C)c(c1)C(O)=O
Show InChI InChI=1S/C19H21NO3/c1-12(21)13-5-10-17(16(11-13)18(22)23)20-15-8-6-14(7-9-15)19(2,3)4/h5-11,20H,1-4H3,(H,22,23)
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n/an/a 7.05E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50337278
PNG
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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n/an/a 1.52E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385715
PNG
(CHEMBL2043302)
Show SMILES CC(=O)c1ccc(Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C15H13NO3/c1-10(17)11-6-8-12(9-7-11)16-14-5-3-2-4-13(14)15(18)19/h2-9,16H,1H3,(H,18,19)
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n/an/a 130n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385717
PNG
(CHEMBL2043304)
Show SMILES Cc1ccc(Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C14H13NO2/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)
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n/an/a 360n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50337278
PNG
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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US Patent
n/an/a 440n/an/an/an/an/an/a



The Trustees of the University of Pennsylvania

US Patent


Assay Description
Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...


US Patent US9271961 (2016)


BindingDB Entry DOI: 10.7270/Q27W6B22
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50337278
PNG
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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US Patent
n/an/a 1.50E+3n/an/an/an/an/an/a



The Trustees of the University of Pennsylvania

US Patent


Assay Description
Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...


US Patent US9271961 (2016)


BindingDB Entry DOI: 10.7270/Q27W6B22
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM68846
PNG
(2-(2-carboxyanilino)benzoic acid | 2-[(2-carboxyph...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1C(O)=O
Show InChI InChI=1S/C14H11NO4/c16-13(17)9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
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PCBioAssay
n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385718
PNG
(CHEMBL2043306)
Show SMILES OC(=O)c1ccc(Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C14H11NO4/c16-13(17)9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
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Article
PubMed
n/an/a 2.74E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM35891
PNG
(flufenamic acid analogue, 18)
Show SMILES CCCCCCc1ccc(Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C19H23NO2/c1-2-3-4-5-8-15-11-13-16(14-12-15)20-18-10-7-6-9-17(18)19(21)22/h6-7,9-14,20H,2-5,8H2,1H3,(H,21,22)
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Article
PubMed
n/an/a 4.40E+3n/a 3.90E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


ACS Chem Biol 4: 834-43 (2009)


Article DOI: 10.1021/cb900143a
BindingDB Entry DOI: 10.7270/Q2V986DC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM35893
PNG
(flufenamic acid analogue, 20)
Show SMILES OC(=O)c1ccccc1Nc1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C20H17NO2/c22-20(23)18-8-4-5-9-19(18)21-17-12-10-16(11-13-17)14-15-6-2-1-3-7-15/h1-13,21H,14H2,(H,22,23)
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Patents


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Article
PubMed
n/an/a 5.80E+3n/a 5.55E+4n/an/a7.223



St. Jude Research Hospital



Assay Description
A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...


ACS Chem Biol 4: 834-43 (2009)


Article DOI: 10.1021/cb900143a
BindingDB Entry DOI: 10.7270/Q2V986DC
More data for this
Ligand-Target Pair