BDBM50157702 CHEMBL3786639::JMC 2016, 59, 2794-2809, Example 31::US11136336, Med. Chem. 2016, 59, 2794-2809 Example 31

SMILES OC(Cc1noc(Cn2cnc3ncccc3c2=O)n1)c1ccc(Cl)cc1

InChI Key InChIKey=PIMAYQFCABRHBK-UHFFFAOYSA-N

Data  6 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50157702   

LigandPNGBDBM50157702(CHEMBL3786639 | JMC 2016, 59, 2794-2809, Example 3...)
Affinity DataIC50:  58nMAssay Description:Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50157702(CHEMBL3786639 | JMC 2016, 59, 2794-2809, Example 3...)
Affinity DataIC50:  75nMAssay Description:Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50157702(CHEMBL3786639 | JMC 2016, 59, 2794-2809, Example 3...)
Affinity DataIC50:  204nMAssay Description:Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-ind...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50157702(CHEMBL3786639 | JMC 2016, 59, 2794-2809, Example 3...)
Affinity DataIC50:  52nMAssay Description:The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...More data for this Ligand-Target Pair
In DepthDetails US Patent
LigandPNGBDBM50157702(CHEMBL3786639 | JMC 2016, 59, 2794-2809, Example 3...)
Affinity DataEC50: >4.00E+4nMAssay Description:Agonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells by 45Ca2+ uptake assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50157702(CHEMBL3786639 | JMC 2016, 59, 2794-2809, Example 3...)
Affinity DataEC50: >4.00E+4nMAssay Description:Agonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells by 45Ca2+ uptake assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50157702(CHEMBL3786639 | JMC 2016, 59, 2794-2809, Example 3...)
Affinity DataIC50:  52nMAssay Description:At the assay day cells were washed 3× with assay puffer, 20 μL buffer remained in the wells after washing. 10 μL Ca6 kit (Cat.R8191 Molecul...More data for this Ligand-Target Pair
In DepthDetails US Patent
LigandPNGBDBM50157702(CHEMBL3786639 | JMC 2016, 59, 2794-2809, Example 3...)
Affinity DataIC50:  251nMAssay Description:Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-i...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed