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BDBM7886 1-PIM::1-phenyl-1H-imidazole::1-phenylimidazole::CHEMBL275066::US9138393, 1-Phenyl- imidazole::US9144538, 1-Phenylimidazole

SMILES: c1cn(cn1)-c1ccccc1

InChI Key: InChIKey=SEULWJSKCVACTH-UHFFFAOYSA-N

Data: 2 KI  5 IC50  2 Kd  2 ITC

PDB links: 2 PDB IDs match this monomer. 3 PDB IDs contain this monomer as substructures. 8 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 7886   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM7886
PNG
(1-PIM | 1-phenyl-1H-imidazole | 1-phenylimidazole ...)
Show SMILES c1cn(cn1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
PDB
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Article
PubMed
4.30E+5n/an/an/an/an/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Inhibition of nNOS (unknown origin) assessed as conversion of L-[3H]arginine to L-[3H]citrulline


Bioorg Med Chem 16: 6193-206 (2008)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7886
PNG
(1-PIM | 1-phenyl-1H-imidazole | 1-phenylimidazole ...)
Show SMILES c1cn(cn1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
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KEGG

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Article
PubMed
4.60E+6 -3.24n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM7886
PNG
(1-PIM | 1-phenyl-1H-imidazole | 1-phenylimidazole ...)
Show SMILES c1cn(cn1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
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US Patent
n/an/a 5.25E+4n/an/an/an/an/an/a



The Procter & Gamble Company

US Patent


Assay Description
All procedures were carried out under minimal light in order to prevent degradation of the retinoid samples.Microsomal preparation: one lobe of fresh...


Citation and Details
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM7886
PNG
(1-PIM | 1-phenyl-1H-imidazole | 1-phenylimidazole ...)
Show SMILES c1cn(cn1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of inducible Nitric oxide synthase in activated murine macrophages.


Bioorg Med Chem Lett 5: 1825-1828 (1995)

More data for this
Ligand-Target Pair
Cytochrome P450 144 (CYP144A1-TRV)


(Mycobacterium tuberculosis)
BDBM7886
PNG
(1-PIM | 1-phenyl-1H-imidazole | 1-phenylimidazole ...)
Show SMILES c1cn(cn1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
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n/an/an/a 2.90E+5n/an/an/an/an/a



University of Cambridge



Assay Description
Optical titrations to determine the binding affinity (KD values) of ligands were carried out on a Cary 60 UV−visible spectrophotometer (Varian,...


Biochemistry 56: 1559-1572 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM7886
PNG
(1-PIM | 1-phenyl-1H-imidazole | 1-phenylimidazole ...)
Show SMILES c1cn(cn1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
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n/an/an/a>1.00E+7n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Dissociation constant when binding to FK506 binding protein (FKBP).


J Med Chem 42: 2498-503 (1999)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM7886
PNG
(1-PIM | 1-phenyl-1H-imidazole | 1-phenylimidazole ...)
Show SMILES c1cn(cn1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
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US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



The Procter & Gamble Company

US Patent


Assay Description
A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM7886
PNG
(1-PIM | 1-phenyl-1H-imidazole | 1-phenylimidazole ...)
Show SMILES c1cn(cn1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
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US Patent
n/an/a 5.25E+4n/an/an/an/an/an/a



The Procter & Gamble Company

US Patent


Assay 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...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM7886
PNG
(1-PIM | 1-phenyl-1H-imidazole | 1-phenylimidazole ...)
Show SMILES c1cn(cn1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
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US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



The Procter & Gamble Company

US Patent


Assay 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 ...


Citation and Details
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 7886
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM4
JPEG
BDBM7886
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
MMDB
PC cid
PC sid
PDB
-2.152.63-4.781.571024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM7886
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
MMDB
PC cid
PC sid
PDB
-1.917.40-9.311.401024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)