BDBM50157631 CHEMBL3785736

SMILES Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12

InChI Key InChIKey=AWJBWNUUODWOKQ-UHFFFAOYSA-N

Data  8 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 10 hits for monomerid = 50157631   

TargetCytochrome P450 3A4(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50157631(CHEMBL3785736)
Affinity DataIC50: >2.70E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2D6(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50157631(CHEMBL3785736)
Affinity DataIC50: >2.70E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50157631(CHEMBL3785736)
Affinity DataIC50:  19nMAssay Description:Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of methylgl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50157631(CHEMBL3785736)
Affinity DataIC50:  10nMAssay Description:Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of hypo osm...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50157631(CHEMBL3785736)
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

LigandPNGBDBM50157631(CHEMBL3785736)
Affinity DataIC50:  20nMAssay 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

LigandPNGBDBM50157631(CHEMBL3785736)
Affinity DataIC50:  71nMAssay 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

LigandPNGBDBM50157631(CHEMBL3785736)
Affinity DataIC50:  131nMAssay 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

LigandPNGBDBM50157631(CHEMBL3785736)
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

LigandPNGBDBM50157631(CHEMBL3785736)
Affinity DataIC50:  20nMAssay 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