BDBM7939 1H-1,3-benzodiazole::Benzimidazole::Benzimidazole (Blm)::US9138393, Benzimidazole::US9144538, Benzimidazole

SMILES c1nc2ccccc2[nH]1

InChI Key InChIKey=HYZJCKYKOHLVJF-UHFFFAOYSA-N

Data  3 KI  9 IC50  2 Kd

PDB links: 16 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 7939   

TargetCytochrome P450 3A4(Human)
The Procter & Gamble

US Patent
LigandPNGBDBM7939(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Affinity DataIC50: 1.00E+4nMAssay Description:A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetCytochrome P450 3A4(Human)
The Procter & Gamble

US Patent
LigandPNGBDBM7939(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Affinity DataIC50: 1.00E+4nMAssay Description:Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetDehaloperoxidase B(Amphitrite ornata)
North Carolina State University

LigandPNGBDBM7939(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Affinity DataKd:  1.10E+5nMpH: 7.0Assay Description:Samples for solution resonance Raman spectroscopic studies were prepared withfinal concentrations of 75 μM WT DHP B and 3.75 mM azole in 100 mM ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 1A1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM7939(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Affinity DataIC50: 1.10E+6nMAssay Description:Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated ratsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2B1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM7939(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Affinity DataIC50: 9.80E+5nMAssay Description:Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated ratsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMembrane primary amine oxidase(Rat)
Astellas Pharma

Curated by ChEMBL
LigandPNGBDBM7939(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMembrane primary amine oxidase(Human)
Astellas Pharma

Curated by ChEMBL
LigandPNGBDBM7939(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetLanosterol 14-alpha demethylase(Human)
Act

Curated by ChEMBL
LigandPNGBDBM7939(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 1A1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM7939(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Affinity DataIC50: 1.10E+6nMAssay Description:Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated ratsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2B1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM7939(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Affinity DataIC50: 9.77E+5nMAssay Description:Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGTPase KRas(Human)
Massachusetts College of Pharmacy and Health Sciences University

Curated by ChEMBL
LigandPNGBDBM7939(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Affinity DataKd:  1.50E+6nMAssay Description:Binding affinity to KRAS (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetGlutaminyl-peptide cyclotransferase(Human)
Probiodrug

Curated by ChEMBL
LigandPNGBDBM7939(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Affinity DataKi:  1.50E+5nMAssay Description:Inhibition of human glutaminyl cyclase expressed in Escherichia coli DH5alpha using H-Gln-AMC as substrate by fluorometric analysis in presence of py...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGlutaminyl-peptide cyclotransferase(Human)
Probiodrug

Curated by ChEMBL
LigandPNGBDBM7939(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Affinity DataKi:  1.38E+5nM ΔG°:  -5.35kcal/molepH: 8.0 T: 2°CAssay Description:QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM7939(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Affinity DataKi:  1.92E+5nM ΔG°:  -5.15kcal/molepH: 8.0 T: 2°CAssay Description:QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed