BindingDB PrimarySearch

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

Data: 13 IC50 6 Kd

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 24656
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM24656 (4-PIM \| 4-Phenylimidazole \| 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB 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
Bryn Mawr College					More data for this Ligand-Target Pair				3D Structure (docked)
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM24656 (4-PIM \| 4-Phenylimidazole \| 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of human IDO1 expressed in Escherichia coli BL21 (DE3) using L-tryptophan as substrate				ACS Med Chem Lett 9: 131-136 (2018)
University Health Network Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Cytochrome P450 144 (CYP144) (Mycobacterium tuberculosis)	BDBM24656 (4-PIM \| 4-Phenylimidazole \| 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	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
Manchester Interdisciplinary Biocentre					More data for this Ligand-Target Pair
Cytochrome P450 125 (CYP125) (Mycobacterium tuberculosis)	BDBM24656 (4-PIM \| 4-Phenylimidazole \| 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	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
Manchester Interdisciplinary Biocentre					More data for this Ligand-Target Pair
Cytochrome P450 142 (CYP142) (Mycobacterium tuberculosis)	BDBM24656 (4-PIM \| 4-Phenylimidazole \| 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	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
Manchester Interdisciplinary Biocentre					More data for this Ligand-Target Pair
Cytochrome P450 3A (Homo sapiens (Human))	BDBM24656 (4-PIM \| 4-Phenylimidazole \| 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
The Procter & Gamble Company US Patent					More data for this Ligand-Target Pair
Cytochrome P450 3A (Homo sapiens (Human))	BDBM24656 (4-PIM \| 4-Phenylimidazole \| 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
The Procter & Gamble Company US Patent					More data for this Ligand-Target Pair
Cytochrome P450 3A (Homo sapiens (Human))	BDBM24656 (4-PIM \| 4-Phenylimidazole \| 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
The Procter & Gamble Company US Patent					More data for this Ligand-Target Pair
Cytochrome P450 3A (Homo sapiens (Human))	BDBM24656 (4-PIM \| 4-Phenylimidazole \| 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
The Procter & Gamble Company US Patent					More data for this Ligand-Target Pair
Cytochrome P450 144 (CYP144A1-TRV) (Mycobacterium tuberculosis)	BDBM24656 (4-PIM \| 4-Phenylimidazole \| 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	PDB UniProtKB/TrEMBL 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
University of Cambridge					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 ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	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
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Rattus norvegicus)	BDBM24656 (4-PIM \| 4-Phenylimidazole \| 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM24656 (4-PIM \| 4-Phenylimidazole \| 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB 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
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM24656 (4-PIM \| 4-Phenylimidazole \| 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM24656 (4-PIM \| 4-Phenylimidazole \| 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article 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) Article DOI: 10.1016/j.ejmech.2016.12.029 BindingDB Entry DOI: 10.7270/Q2RX9F9K
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM24656 (4-PIM \| 4-Phenylimidazole \| 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article 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) Article DOI: 10.1016/j.ejmech.2016.12.029 BindingDB Entry DOI: 10.7270/Q2RX9F9K
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM24656 (4-PIM \| 4-Phenylimidazole \| 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article 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) Article DOI: 10.1016/j.ejmech.2016.12.029 BindingDB Entry DOI: 10.7270/Q2RX9F9K
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM24656 (4-PIM \| 4-Phenylimidazole \| 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article 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) Article DOI: 10.1016/j.ejmech.2016.12.029 BindingDB Entry DOI: 10.7270/Q2RX9F9K
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Cytochrome P450 51(CYP51) (Mycobacterium tuberculosis)	BDBM24656 (4-PIM \| 4-Phenylimidazole \| 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.30E+6	n/a	n/a	n/a	7.5	37
University of California 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
University of California San Francisco					More data for this Ligand-Target Pair				3D Structure (docked)