BDBM7887 1-Benzylimidazole (BI)::1-benzyl-1H-imidazole::1-benzylimidazole::CHEMBL14192::US9138393, 1-benzylimidazole

SMILES C(c1ccccc1)n1ccnc1

InChI Key InChIKey=KKKDZZRICRFGSD-UHFFFAOYSA-N

Data  4 KI  16 IC50  1 Kd  2 ITC

PDB links: 4 PDB IDs match 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 21 hits for monomerid = 7887   

TargetGlutaminyl-peptide cyclotransferase(Human)
Academia Sinica

LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataKi:  262nM ΔG°:  -8.97kcal/molepH: 8.0 T: 25°CAssay Description:The testing for the inhibition activities of imidazole derivatives and cacodylate on gQC and sQC was evaluated at 25 C using the fluorescent substrat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetGlutaminyl-peptide cyclotransferase(Human)
Academia Sinica

LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataKi:  607nM ΔG°:  -8.48kcal/molepH: 8.0 T: 25°CAssay Description:The testing for the inhibition activities of imidazole derivatives and cacodylate on gQC and sQC was evaluated at 25 C using the fluorescent substrat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataKi:  6.40E+3nM ΔG°:  -7.20kcal/molepH: 8.0 T: 30°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 ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetGlutaminyl-peptide cyclotransferase(Human)
Academia Sinica

LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataKi:  7.00E+3nM ΔG°:  -7.15kcal/molepH: 8.0 T: 30°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 ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Rat)
Kingston University

Curated by ChEMBL
LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataIC50:  2.15E+5nMAssay Description:Inhibition of rat microsomal 17alpha-hydroxylase component of P450-17alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Rat)
Kingston University

Curated by ChEMBL
LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataIC50:  1.54E+5nMAssay Description:Inhibition of rat testis 17alpha-hydroxylase component of P450-17alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetD-3-phosphoglycerate dehydrogenase(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataKd:  1.18E+7nMAssay Description:Binding affinity to human PHGDH (3 to 314 residues) expressed in Escherichia coli Rosetta (DE3) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails PubMed

TargetCytochrome P450 11B1, mitochondrial(Human)
Eindhoven University of Technology

Curated by ChEMBL
LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataIC50:  709nMAssay Description:Inhibition of human CYP11B1 expressed in chinese hamster V79 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 11B2, mitochondrial(Human)
Eindhoven University of Technology

Curated by ChEMBL
LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataIC50:  1.80E+3nMAssay Description:Inhibition of human CYP11B2 expressed in chinese hamster V79 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Rat)
Kingston University

Curated by ChEMBL
LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataIC50: >3.00E+3nMAssay Description:Inhibition of 17alpha-hydroxylase activity of rat testicular microsomal P450-17alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Rat)
Kingston University

Curated by ChEMBL
LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataIC50: >3.00E+3nMAssay Description:Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 11B1, mitochondrial(Human)
Eindhoven University of Technology

Curated by ChEMBL
LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataIC50:  135nMAssay Description:Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 11B2, mitochondrial(Human)
Eindhoven University of Technology

Curated by ChEMBL
LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataIC50:  456nMAssay Description:Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAromatase(Human)
Universite de Moncton

Curated by ChEMBL
LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataIC50:  150nMAssay Description:Inhibition of aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate after 30 mins by fluorescence-based colorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 4Z1(Human)
Freie Universit£T Berlin

Curated by ChEMBL
LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataIC50:  6.70E+3nMAssay Description:Inhibition of human CYP4Z1 overexpressed in human MCF7 cells using luciferin-3FBE as substrate incubated for 24 hrs followed by substrate addition by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 4Z1(Human)
Freie Universit£T Berlin

Curated by ChEMBL
LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataIC50:  5.90E+3nMAssay Description:Inhibition of human CYP4Z1 overexpressed in human MCF7 cells using luciferin-BE as substrate incubated for 24 hrs followed by substrate addition by l...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Rat)
Kingston University

Curated by ChEMBL
LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataIC50:  3.91E+4nMAssay Description:Inhibition of rat microsomal 17,20-lyase component of P450-17alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCamphor 5-monooxygenase(Pseudomonas putida (g-Proteobacteria))
University of California

Curated by ChEMBL
LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataIC50:  1.60E+4nMAssay Description:Inhibition of wild type cytochrome P450cam expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
The Procter & Gamble

US Patent
LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataIC50:  7.75E+4nMpH: 7.4Assay Description:All procedures were carried out under minimal light in order to prevent degradation of the retinoid samples.Microsomal preparation: one lobe of fresh...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetCytochrome P450 3A4(Human)
The Procter & Gamble

US Patent
LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataIC50:  7.75E+4nMpH: 7.4 T: 4°CAssay Description:Microsomal preparation: One lobe of fresh pig liver is obtained (e.g., at about the time of slaughter from a food-processing company) and immediately...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Rat)
Kingston University

Curated by ChEMBL
LigandPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Affinity DataIC50:  5.09E+4nMAssay Description:Inhibition of rat testis 17,20 lyase component of P450-17alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 7887   

HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
ITC DataΔG°: -3.56kcal/mole −TΔS°: 0.242kcal/mole ΔH°: -3.80kcal/mole logk: 407
pH: 10.0 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM7887(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
ITC DataΔG°: -2.42kcal/mole −TΔS°: 4.49kcal/mole ΔH°: -6.90kcal/mole logk: 60.3
pH: 10.0 T: 24.85°C 
In DepthDetails