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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50396670   
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
Aldo-keto reductase family 1 member C3


(Homo sapiens (Human))
BDBM50396670
PNG
(CHEMBL2172107)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H13NO4S/c19-17(20)14-6-3-7-16(11-14)23(21,22)18-15-9-8-12-4-1-2-5-13(12)10-15/h1-11,18H,(H,19,20)
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n/an/a 600n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...


Bioorg Med Chem Lett 26: 5631-5638 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.073
BindingDB Entry DOI: 10.7270/Q200043M
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3


(Homo sapiens (Human))
BDBM50396670
PNG
(CHEMBL2172107)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H13NO4S/c19-17(20)14-6-3-7-16(11-14)23(21,22)18-15-9-8-12-4-1-2-5-13(12)10-15/h1-11,18H,(H,19,20)
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Article
PubMed
n/an/a 600n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...


J Med Chem 55: 7746-58 (2012)


Article DOI: 10.1021/jm3007867
BindingDB Entry DOI: 10.7270/Q28K7B6F
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3


(Homo sapiens (Human))
BDBM50396670
PNG
(CHEMBL2172107)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H13NO4S/c19-17(20)14-6-3-7-16(11-14)23(21,22)18-15-9-8-12-4-1-2-5-13(12)10-15/h1-11,18H,(H,19,20)
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Article
PubMed
n/an/a 603n/an/an/an/an/an/a



Guangzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-az...


Bioorg Med Chem Lett 26: 5631-5638 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.073
BindingDB Entry DOI: 10.7270/Q200043M
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (Human))
BDBM50396670
PNG
(CHEMBL2172107)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H13NO4S/c19-17(20)14-6-3-7-16(11-14)23(21,22)18-15-9-8-12-4-1-2-5-13(12)10-15/h1-11,18H,(H,19,20)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...


J Med Chem 55: 7746-58 (2012)


Article DOI: 10.1021/jm3007867
BindingDB Entry DOI: 10.7270/Q28K7B6F
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4


(Homo sapiens (Human))
BDBM50396670
PNG
(CHEMBL2172107)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H13NO4S/c19-17(20)14-6-3-7-16(11-14)23(21,22)18-15-9-8-12-4-1-2-5-13(12)10-15/h1-11,18H,(H,19,20)
PDB

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antibodypedia
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PC sid
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...


J Med Chem 55: 7746-58 (2012)


Article DOI: 10.1021/jm3007867
BindingDB Entry DOI: 10.7270/Q28K7B6F
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (Human))
BDBM50396670
PNG
(CHEMBL2172107)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H13NO4S/c19-17(20)14-6-3-7-16(11-14)23(21,22)18-15-9-8-12-4-1-2-5-13(12)10-15/h1-11,18H,(H,19,20)
PDB
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Reactome pathway
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PC sid
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged AKR1C1 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...


J Med Chem 55: 7746-58 (2012)


Article DOI: 10.1021/jm3007867
BindingDB Entry DOI: 10.7270/Q28K7B6F
More data for this
Ligand-Target Pair