BDBM7887 1-Benzylimidazole (BI)::1-benzyl-1H-imidazole::1-benzylimidazole::CHEMBL14192::US9138393, 1-benzylimidazole
SMILES: C(c1ccccc1)n1ccnc1
InChI Key: InChIKey=KKKDZZRICRFGSD-UHFFFAOYSA-N
PDB links: 4 PDB IDs match this monomer. 15 PDB IDs contain this monomer as substructures. 15 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glutaminyl Cyclase (Homo sapiens (Human)) | BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank MMDB PDB Article PubMed | 262 | -8.97 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Academia Sinica | Assay 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... | J Biol Chem 286: 12439-49 (2011) Article DOI: 10.1074/jbc.M110.208595 BindingDB Entry DOI: 10.7270/Q2CN72HS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Glutaminyl Cyclase (Homo sapiens (Human)) | BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank MMDB PDB Article PubMed | 607 | -8.48 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Academia Sinica | Assay 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... | J Biol Chem 286: 12439-49 (2011) Article DOI: 10.1074/jbc.M110.208595 BindingDB Entry DOI: 10.7270/Q2CN72HS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Glutaminyl Cyclase (Mus musculus (mouse)) | BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 6.40E+3 | -7.20 | n/a | n/a | n/a | n/a | n/a | 8.0 | 30 |
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... | Biochemistry 44: 13415-24 (2005) Article DOI: 10.1021/bi051142e BindingDB Entry DOI: 10.7270/Q21834QW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Glutaminyl Cyclase (Homo sapiens (Human)) | BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank MMDB PDB Article PubMed | 7.00E+3 | -7.15 | n/a | n/a | n/a | n/a | n/a | 8.0 | 30 |
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) Article DOI: 10.1021/jm050756e BindingDB Entry DOI: 10.7270/Q28S4N46 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Moncton Curated by ChEMBL | Assay Description Inhibition of aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate after 30 mins by fluorescence-based colorimetric analysis | Eur J Med Chem 46: 4010-24 (2011) Article DOI: 10.1016/j.ejmech.2011.05.074 BindingDB Entry DOI: 10.7270/Q2C24WTR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 17A1 (Rattus norvegicus (Rat)) | BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.54E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kingston University Curated by ChEMBL | Assay Description Inhibition of rat testis 17alpha-hydroxylase component of P450-17alpha | Bioorg Med Chem Lett 16: 4752-6 (2006) Article DOI: 10.1016/j.bmcl.2006.06.092 BindingDB Entry DOI: 10.7270/Q2P55N43 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 17A1 (Rattus norvegicus (Rat)) | BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 5.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kingston University Curated by ChEMBL | Assay Description Inhibition of rat testis 17,20 lyase component of P450-17alpha | Bioorg Med Chem Lett 16: 4752-6 (2006) Article DOI: 10.1016/j.bmcl.2006.06.092 BindingDB Entry DOI: 10.7270/Q2P55N43 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human)) | BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 603 | n/a | n/a | n/a | n/a | n/a | n/a |
Eindhoven University of Technology Curated by ChEMBL | Assay Description Inhibition of human CYP11B1 expressed in chinese hamster V79 cells | J Med Chem 53: 1712-25 (2010) Article DOI: 10.1021/jm901356d BindingDB Entry DOI: 10.7270/Q2XS5VGF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human)) | BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eindhoven University of Technology Curated by ChEMBL | Assay Description Inhibition of human CYP11B2 expressed in chinese hamster V79 cells | J Med Chem 53: 1712-25 (2010) Article DOI: 10.1021/jm901356d BindingDB Entry DOI: 10.7270/Q2XS5VGF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 17A1 (Rattus norvegicus (Rat)) | BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of the West of Scotland Curated by ChEMBL | Assay Description Inhibition of 17alpha-hydroxylase activity of rat testicular microsomal P450-17alpha | Bioorg Med Chem Lett 20: 5345-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.100 BindingDB Entry DOI: 10.7270/Q2DF6RF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 17A1 (Rattus norvegicus (Rat)) | BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of the West of Scotland Curated by ChEMBL | Assay Description Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha | Bioorg Med Chem Lett 20: 5345-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.100 BindingDB Entry DOI: 10.7270/Q2DF6RF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human)) | BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate | ACS Med Chem Lett 2: 2-6 (2011) Article DOI: 10.1021/ml100071j BindingDB Entry DOI: 10.7270/Q28W3DKS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human)) | BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 456 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate | ACS Med Chem Lett 2: 2-6 (2011) Article DOI: 10.1021/ml100071j BindingDB Entry DOI: 10.7270/Q28W3DKS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 17A1 (Rattus norvegicus (Rat)) | BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kingston University Curated by ChEMBL | Assay Description Inhibition of rat microsomal 17,20-lyase component of P450-17alpha | Bioorg Med Chem Lett 16: 4011-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.070 BindingDB Entry DOI: 10.7270/Q27M07J2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450-cam (Pseudomonas putida) | BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of wild type cytochrome P450cam expressed in Escherichia coli | J Med Chem 47: 3572-9 (2004) Article DOI: 10.1021/jm030608t BindingDB Entry DOI: 10.7270/Q20R9NVP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 7.75E+4 | n/a | n/a | n/a | n/a | 7.4 | n/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... | US Patent US9144538 (2015) BindingDB Entry DOI: 10.7270/Q22806DV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 7.75E+4 | n/a | n/a | n/a | n/a | 7.4 | 4 |
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... | US Patent US9138393 (2015) BindingDB Entry DOI: 10.7270/Q2GF0S8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 17A1 (Rattus norvegicus (Rat)) | BDBM7887 (1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.15E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kingston University Curated by ChEMBL | Assay Description Inhibition of rat microsomal 17alpha-hydroxylase component of P450-17alpha | Bioorg Med Chem Lett 16: 4011-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.070 BindingDB Entry DOI: 10.7270/Q27M07J2 | |||||||||||
More data for this Ligand-Target Pair |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BDBM11 | BDBM7887 | CHEBI KEGG MMDB PC cid PC sid PDB | DrugBank MMDB PC cid PC sid PDB | -3.56 | 0.242 | -3.80 | 2.61 | 10 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM4 | BDBM7887 | CHEBI MMDB PC cid PC sid PDB | DrugBank MMDB PC cid PC sid PDB | -2.42 | 4.49 | -6.90 | 1.78 | 10 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) |