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BDBM50396715 CHEMBL2172093

SMILES: OC(=O)c1cncc(c1)S(=O)(=O)N1CCc2ccccc2C1

InChI Key: InChIKey=HSAPYTJKJWNNEI-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50396715   
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
Aldo-keto reductase family 1 member C4 (AK1C4)


(Homo sapiens (Human))
BDBM50396715
PNG
(CHEMBL2172093)
Show SMILES OC(=O)c1cncc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H14N2O4S/c18-15(19)13-7-14(9-16-8-13)22(20,21)17-6-5-11-3-1-2-4-12(11)10-17/h1-4,7-9H,5-6,10H2,(H,18,19)
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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 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 C2


(Homo sapiens (Human))
BDBM50396715
PNG
(CHEMBL2172093)
Show SMILES OC(=O)c1cncc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H14N2O4S/c18-15(19)13-7-14(9-16-8-13)22(20,21)17-6-5-11-3-1-2-4-12(11)10-17/h1-4,7-9H,5-6,10H2,(H,18,19)
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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 C3


(Homo sapiens (Human))
BDBM50396715
PNG
(CHEMBL2172093)
Show SMILES OC(=O)c1cncc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H14N2O4S/c18-15(19)13-7-14(9-16-8-13)22(20,21)17-6-5-11-3-1-2-4-12(11)10-17/h1-4,7-9H,5-6,10H2,(H,18,19)
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n/an/a 42n/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
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (Human))
BDBM50396715
PNG
(CHEMBL2172093)
Show SMILES OC(=O)c1cncc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H14N2O4S/c18-15(19)13-7-14(9-16-8-13)22(20,21)17-6-5-11-3-1-2-4-12(11)10-17/h1-4,7-9H,5-6,10H2,(H,18,19)
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n/an/a 42n/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
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (Human))
BDBM50396715
PNG
(CHEMBL2172093)
Show SMILES OC(=O)c1cncc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H14N2O4S/c18-15(19)13-7-14(9-16-8-13)22(20,21)17-6-5-11-3-1-2-4-12(11)10-17/h1-4,7-9H,5-6,10H2,(H,18,19)
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n/an/a 42n/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 C1


(Homo sapiens (Human))
BDBM50396715
PNG
(CHEMBL2172093)
Show SMILES OC(=O)c1cncc(c1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H14N2O4S/c18-15(19)13-7-14(9-16-8-13)22(20,21)17-6-5-11-3-1-2-4-12(11)10-17/h1-4,7-9H,5-6,10H2,(H,18,19)
PDB
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PC cid
PC sid
UniChem
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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 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