BDBM50277998 CHEMBL4174786

SMILES COc1ccc(cc1)Cn2c(c(nn2)O)C(=O)Nc3cccc(c3)C(F)(F)F

InChI Key InChIKey=IMCLZLUHJZCWCW-UHFFFAOYSA-N

Data  8 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50277998   

TargetProstaglandin G/H synthase 1(Sheep)
University of Torino

Curated by ChEMBL
LigandPNGBDBM50277998(CHEMBL4174786)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of ovine COX1 assessed as reduction in PGF2alpha production by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2020
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C3(Human)
University of Torino

Curated by ChEMBL
LigandPNGBDBM50277998(CHEMBL4174786)
Affinity DataIC50: 310nMAssay Description:Inhibition of AKR1C3 (unknown origin) using S-tetralol as substrate in presence of NADP+ by fluorimteryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C3(Human)
University of Torino

Curated by ChEMBL
LigandPNGBDBM50277998(CHEMBL4174786)
Affinity DataIC50: 3.56E+3nMAssay Description:Inhibition of recombinant human AKR1C3 expressed in Escherichia coli BL21 (DE) using [14C]androstenedione as substrate in presence of NADPH generatin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C2(Human)
University of Torino

Curated by ChEMBL
LigandPNGBDBM50277998(CHEMBL4174786)
Affinity DataIC50: 7.32E+4nMAssay Description:Inhibition of AKR1C2 (unknown origin) using S-tetralol as substrate by by fluorimteryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome c oxidase subunit 2(Human)
University of Torino

Curated by ChEMBL
LigandPNGBDBM50277998(CHEMBL4174786)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2020
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C2(Human)
University of Torino

Curated by ChEMBL
LigandPNGBDBM50277998(CHEMBL4174786)
Affinity DataIC50: 7.32E+4nMAssay Description:Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C3(Human)
University of Torino

Curated by ChEMBL
LigandPNGBDBM50277998(CHEMBL4174786)
Affinity DataIC50: 310nMAssay Description:Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C3(Human)
University of Torino

Curated by ChEMBL
LigandPNGBDBM50277998(CHEMBL4174786)
Affinity DataIC50: 310nMAssay Description:Inhibition of recombinant human AKR1C3 transfected in Escherichia coli BL21 (DE) assessed as reduction in NADPH production using S-tetralol as substr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)