BDBM24656 4-PIM::4-Phenylimidazole::4-phenyl-1H-imidazole::4-phenylimidazole, 4-PI::CHEMBL14145::US9138393, 4-Phenyl- imidazole::US9144538, 4-Phenylimidazole
SMILES: c1nc(c[nH]1)-c1ccccc1
InChI Key: InChIKey=XHLKOHSAWQPOFO-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 3A (Homo sapiens (Human)) | BDBM24656![]() (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 5.88E+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 | |||||||||||||
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human)) | BDBM24656![]() (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 4.80E+4 | n/a | n/a | n/a | n/a | 6.5 | 37 |
Bryn Mawr College | Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr... | J Med Chem 51: 4968-77 (2008) Article DOI: 10.1021/jm800512z BindingDB Entry DOI: 10.7270/Q2154FB1 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cytochrome P450 51(CYP51) (Mycobacterium tuberculosis) | BDBM24656![]() (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 1.30E+6 | n/a | n/a | n/a | 7.5 | 37 |
University of California at San Francisco | Assay Description The assay was developed based on the optical spectral property of P450 enzyme to elicit both type I and type II spectral changes (350 nm through 450 ... | Antimicrob Agents Chemother 51: 3915-23 (2007) Article DOI: 10.1128/AAC.00311-07 BindingDB Entry DOI: 10.7270/Q20V8B3R | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cytochrome P450 3A (Homo sapiens (Human)) | BDBM24656![]() (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 1.50E+3 | 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 3A (Homo sapiens (Human)) | BDBM24656![]() (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 5.88E+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 | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM24656![]() (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB PubMed | n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in presence of GSH and tw... | Eur J Med Chem 126: 983-996 (2017) | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cytochrome P450 144 (CYP144A1-TRV) (Mycobacterium tuberculosis) | BDBM24656![]() (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) | PDB GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 2.98E+6 | n/a | n/a | n/a | 7.0 | n/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) Article DOI: 10.1021/acs.biochem.6b00954 BindingDB Entry DOI: 10.7270/Q2SJ1JF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR (Homo sapiens (Human)) | BDBM24656![]() (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Dissociation constant when binding to FK506 binding protein (FKBP). | J Med Chem 42: 2498-503 (1999) Article DOI: 10.1021/jm990073x BindingDB Entry DOI: 10.7270/Q2639NZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Rattus norvegicus) | BDBM24656![]() (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.30E+4 | 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) Article DOI: 10.1021/jm00348a003 BindingDB Entry DOI: 10.7270/Q2474C1S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human)) | BDBM24656![]() (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 7.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminus 6X-histidine-tagged indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as inhibition of L-... | J Med Chem 56: 3310-7 (2013) Article DOI: 10.1021/jm400049z BindingDB Entry DOI: 10.7270/Q29C6ZRX | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cytochrome P450 2B1 (Rattus norvegicus) | BDBM24656![]() (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) | PDB UniProtKB/SwissProt DrugBank GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 7.40E+3 | 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) Article DOI: 10.1021/jm00348a003 BindingDB Entry DOI: 10.7270/Q2474C1S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM24656![]() (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB PubMed | n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in absence of GSH and twe... | Eur J Med Chem 126: 983-996 (2017) | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM24656![]() (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB PubMed | n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in absence of GSH and pre... | Eur J Med Chem 126: 983-996 (2017) | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM24656![]() (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB PubMed | n/a | n/a | 4.28E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of full length recombinant human His-tagged IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs | Eur J Med Chem 126: 983-996 (2017) | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cytochrome P450 142 (CYP142) (Mycobacterium tuberculosis) | BDBM24656![]() (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a |
Manchester Interdisciplinary Biocentre | Assay Description Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va... | J Biol Chem 285: 38270-82 (2010) Article DOI: 10.1074/jbc.M110.164293 BindingDB Entry DOI: 10.7270/Q2251GR0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 125 (CYP125) (Mycobacterium tuberculosis) | BDBM24656![]() (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 2.16E+5 | n/a | n/a | n/a | n/a | n/a |
Manchester Interdisciplinary Biocentre | Assay Description Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va... | J Biol Chem 285: 38270-82 (2010) Article DOI: 10.1074/jbc.M110.164293 BindingDB Entry DOI: 10.7270/Q2251GR0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 144 (CYP144) (Mycobacterium tuberculosis) | BDBM24656![]() (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) | PDB KEGG UniProtKB/SwissProt GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 2.80E+5 | n/a | n/a | n/a | n/a | n/a |
Manchester Interdisciplinary Biocentre | Assay Description Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va... | J Biol Chem 285: 38270-82 (2010) Article DOI: 10.1074/jbc.M110.164293 BindingDB Entry DOI: 10.7270/Q2251GR0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A (Homo sapiens (Human)) | BDBM24656![]() (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 1.50E+3 | 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 |