BDBM50277998 CHEMBL4174786

SMILES COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(c2)C(F)(F)F)cc1

InChI Key InChIKey=IMCLZLUHJZCWCW-UHFFFAOYSA-N

Data  8 IC50

PDB links: 1 PDB ID matches this monomer.

  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 8 hits for monomerid = 50277998   

TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
University Of Torino

Curated by ChEMBL
LigandPNGBDBM50277998(CHEMBL4174786)
Affinity DataIC50: >1.00E+5nMAssay Description:Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]-9-cis-RA as a radioligand in baculovirus expressed receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C3(Homo sapiens (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
TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
University Of Torino

Curated by ChEMBL
LigandPNGBDBM50277998(CHEMBL4174786)
Affinity DataIC50:  3.56E+3nMAssay Description:Thromboxane (TXA2) receptor antagonist activity using human plateletMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member C3(Homo sapiens (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
TargetCytochrome c oxidase subunit 2(Homo sapiens (Human))
University Of Torino

Curated by ChEMBL
LigandPNGBDBM50277998(CHEMBL4174786)
Affinity DataIC50: >1.00E+5nMAssay Description:Antagonistic activity against TP-receptor by inhibition of U 46619-induced contraction of isolated guinea pig tracheaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C2(Homo sapiens (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
TargetAldo-keto reductase family 1 member C3(Homo sapiens (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
TargetAldo-keto reductase family 1 member C2(Homo sapiens (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