BDBM50509747 CHEMBL4467043

SMILES [#6]-[#7](-[#6])-c1ccc(-[#6]-[#7]-[#6](=O)-c2cc(-[#6]\[#6]=[#6](\[#6])-[#6])cc(\[#6]=[#6]\[#6](-[#8])=O)c2)cc1

InChI Key InChIKey=GDZIBOKVVXARES-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50509747   

TargetAldo-keto reductase family 1 member C4(Human)
Texas Tech University Health Sciences Center

Curated by ChEMBL
LigandPNGBDBM50509747(CHEMBL4467043)
Affinity DataIC50: 5.90E+4nMAssay Description:Inhibition of recombinant human AKR1C4 expressed in Escherichia coli BL21 (D3) using S-tetralol as substrate in presence of NADP+ by UV-spectrophotom...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C2(Human)
Texas Tech University Health Sciences Center

Curated by ChEMBL
LigandPNGBDBM50509747(CHEMBL4467043)
Affinity DataIC50: 8.00E+4nMAssay Description:Inhibition of recombinant human AKR1C2 expressed in Escherichia coli BL21 (D3) using S-tetralol as substrate in presence of NADP+ by UV-spectrophotom...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C3(Human)
Texas Tech University Health Sciences Center

Curated by ChEMBL
LigandPNGBDBM50509747(CHEMBL4467043)
Affinity DataIC50: 60nMAssay Description:Inhibition of recombinant human AKR1C3 expressed in Escherichia coli BL21 (D3) using S-tetralol as substrate in presence of NADP+ by UV-spectrophotom...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed