BDBM7939 1H-1,3-benzodiazole::Benzimidazole::Benzimidazole (Blm)::US9138393, Benzimidazole::US9144538, Benzimidazole
SMILES: c1nc2ccccc2[nH]1
InChI Key: InChIKey=HYZJCKYKOHLVJF-UHFFFAOYSA-N
PDB links: 14 PDB IDs match this monomer. 158 PDB IDs contain this monomer as substructures. 158 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 |
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Glutaminyl Cyclase (Homo sapiens (Human)) | BDBM7939 (1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 1.38E+5 | -5.35 | 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 Biol Chem 278: 49773-9 (2003) Article DOI: 10.1074/jbc.M309077200 BindingDB Entry DOI: 10.7270/Q2513WDS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glutaminyl Cyclase (Homo sapiens (Human)) | BDBM7939 (1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Probiodrug AG Curated by ChEMBL | Assay Description Inhibition of human glutaminyl cyclase expressed in Escherichia coli DH5alpha using H-Gln-AMC as substrate by fluorometric analysis in presence of py... | J Med Chem 56: 6613-25 (2013) Article DOI: 10.1021/jm4001709 BindingDB Entry DOI: 10.7270/Q26T0P2X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glutaminyl Cyclase (Mus musculus (mouse)) | BDBM7939 (1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 1.92E+5 | -5.15 | 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... | Biochemistry 44: 13415-24 (2005) Article DOI: 10.1021/bi051142e BindingDB Entry DOI: 10.7270/Q21834QW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B1 (Rattus norvegicus) | BDBM7939 (1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...) | PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 9.77E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats. | J Med Chem 25: 887-92 (1982) BindingDB Entry DOI: 10.7270/Q2VT1T8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B1 (Rattus norvegicus) | BDBM7939 (1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...) | PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 9.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats | J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vascular adhesion protein 1 (VAP-1) (Rattus norvegicus (Rat)) | BDBM7939 (1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc. Curated by ChEMBL | Assay 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... | Bioorg Med Chem 21: 3873-81 (2013) Article DOI: 10.1016/j.bmc.2013.04.011 BindingDB Entry DOI: 10.7270/Q22B90DG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vascular adhesion protein 1 (VAP-1) (Homo sapiens (Human)) | BDBM7939 (1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc. Curated by ChEMBL | Assay 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... | Bioorg Med Chem 21: 3873-81 (2013) Article DOI: 10.1016/j.bmc.2013.04.011 BindingDB Entry DOI: 10.7270/Q22B90DG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sterol 14α-demethylase (CYP51) (Homo sapiens (Human)) | BDBM7939 (1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC Curated by ChEMBL | Assay Description Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay | Drug Metab Dispos 35: 493-500 (2007) Article DOI: 10.1124/dmd.106.013888 BindingDB Entry DOI: 10.7270/Q2DF6S2H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Rattus norvegicus) | BDBM7939 (1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 1.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats | J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dehaloperoxidase B (DHP B) (Amphitrite ornata) | BDBM7939 (1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | n/a | 1.10E+5 | n/a | n/a | n/a | 7.0 | n/a |
North Carolina State University | Assay 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 ... | Biochemistry 56: 2294-2303 (2017) Article DOI: 10.1021/acs.biochem.7b00041 BindingDB Entry DOI: 10.7270/Q2XS5T7W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM7939 (1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents | US Patent | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 ... | US Patent US9144538 (2015) BindingDB Entry DOI: 10.7270/Q22806DV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM7939 (1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents | US Patent | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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. ... | US Patent US9138393 (2015) BindingDB Entry DOI: 10.7270/Q2GF0S8J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Rattus norvegicus) | BDBM7939 (1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 1.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats | J Med Chem 25: 622-6 (1982) BindingDB Entry DOI: 10.7270/Q2474C1S | |||||||||||
More data for this Ligand-Target Pair |