BDBM50019165 2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2)::CHEMBL3289108

SMILES: Oc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1

InChI Key: InChIKey=HMZVOPJPTNTGGO-UHFFFAOYSA-N

Data: 6 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50019165   

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
Thymidine phosphorylase (TP) (Escherichia coli (Enterobacteria))	BDBM50019165 (2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2) |...) Show SMILES Oc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)	PDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.34E+5	n/a	n/a	n/a	n/a	7.0	n/a
University of Karachi					Assay Description TP inhibition assay was performed spectrophotometrically. The method of Bera et al. was followed with slight modifications. Reaction mixture of 200 µ...				Bioorg Chem 63: 142-51 (2015) Article DOI: 10.1016/j.bioorg.2015.10.006 BindingDB Entry DOI: 10.7270/Q2C8282R
					More data for this Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human))	BDBM50019165 (2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2) |...) Show SMILES Oc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of beta-glucuronidase activity (unknown origin) assessed as p-nitrophenol formation after 30 mins using p-nitrophenyl-beta-D-glucuronide a...				Bioorg Med Chem 22: 3449-54 (2014) Article DOI: 10.1016/j.bmc.2014.04.039 BindingDB Entry DOI: 10.7270/Q2057HHX
					More data for this Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human))	BDBM50019165 (2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2) |...) Show SMILES Oc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	2.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-d-glucuronide as substrate after 30 mins				Eur J Med Chem 187: (2020)
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50019165 (2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2) |...) Show SMILES Oc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	528	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay				Eur J Med Chem 118: 316-27 (2016) BindingDB Entry DOI: 10.7270/Q22F7QC0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50019165 (2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2) |...) Show SMILES Oc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	6.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay				Eur J Med Chem 118: 316-27 (2016) BindingDB Entry DOI: 10.7270/Q22F7QC0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50019165 (2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2) |...) Show SMILES Oc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...				Eur J Med Chem 118: 316-27 (2016) BindingDB Entry DOI: 10.7270/Q22F7QC0
					More data for this Ligand-Target Pair				3D Structure (crystal)