BDBM50546236 CHEMBL4742775

SMILES COc1ccc2n(cc(CCNC(C)=O)c2c1)C(=O)c1ccc(Cl)cc1

InChI Key InChIKey=NDAAJXSISJLIBF-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50546236   

TargetProstaglandin G/H synthase 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50546236(CHEMBL4742775)
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of human COX-2 expressed in Sf9 insect cells using [14C] arachidonic acid as substrate preincubated for 20 mins followed by substrate addi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 1(Sheep)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50546236(CHEMBL4742775)
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of ovine COX-1 using [14C] arachidonic acid as substrate preincubated for 20 mins followed by substrate addition measured after 30 sec by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50546236(CHEMBL4742775)
Affinity DataIC50: 1.14E+4nMAssay Description:Inhibition of AKR1C3 (unknown origin) using 4-androstene-3,17-dione as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50546236(CHEMBL4742775)
Affinity DataIC50: 7.80E+3nMAssay Description:Inhibition of AKR1C3 (unknown origin) using 9,10-phenanthrenequinone as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed