BDBM7884 1-methyl-1H-imidazole::US9138393, 1-Methylimidazole::US9144538, 1-Methylimidazole
SMILES: Cn1ccnc1
InChI Key: InChIKey=MCTWTZJPVLRJOU-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains 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 (Mus musculus (mouse)) | BDBM7884 (1-methyl-1H-imidazole | US9138393, 1-Methylimidazo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 2.30E+4 | -6.43 | 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 | |||||||||||||
Glutaminyl Cyclase (Homo sapiens (Human)) | BDBM7884 (1-methyl-1H-imidazole | US9138393, 1-Methylimidazo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 3.00E+4 | -6.27 | 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 (docked) | ||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM7884 (1-methyl-1H-imidazole | US9138393, 1-Methylimidazo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase 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)) | BDBM7884 (1-methyl-1H-imidazole | US9138393, 1-Methylimidazo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 2.70E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Jadavpur University Curated by ChEMBL | Assay Description Inhibition of CYP3A4 | Eur J Med Chem 44: 2913-22 (2009) Article DOI: 10.1016/j.ejmech.2008.12.004 BindingDB Entry DOI: 10.7270/Q2NC6174 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM7884 (1-methyl-1H-imidazole | US9138393, 1-Methylimidazo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase 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 |