BDBM68008 3-[(4-bromobenzoyl)oxy]-2-(3,5-dimethoxyphenyl)quinazolin-4(3H)-one::4-bromobenzoic acid [2-(3,5-dimethoxyphenyl)-4-keto-quinazolin-3-yl] ester::4-bromobenzoic acid [2-(3,5-dimethoxyphenyl)-4-oxo-3-quinazolinyl] ester::MLS000584750::SMR000203713::[2-(3,5-dimethoxyphenyl)-4-oxidanylidene-quinazolin-3-yl] 4-bromanylbenzoate::[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 4-bromobenzoate::cid_12004873

SMILES: COc1cc(OC)cc(c1)-c1nc2ccccc2c(=O)n1OC(=O)c1ccc(Br)cc1

InChI Key: InChIKey=HBWUGAAVWDYARF-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 68008   

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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68008 (3-[(4-bromobenzoyl)oxy]-2-(3,5-dimethoxyphenyl)qui...) Show SMILES COc1cc(OC)cc(c1)-c1nc2ccccc2c(=O)n1OC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C23H17BrN2O5/c1-29-17-11-15(12-18(13-17)30-2)21-25-20-6-4-3-5-19(20)22(27)26(21)31-23(28)14-7-9-16(24)10-8-14/h3-13H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
XBP1 (Homo sapiens (Human))	BDBM68008 (3-[(4-bromobenzoyl)oxy]-2-(3,5-dimethoxyphenyl)qui...) Show SMILES COc1cc(OC)cc(c1)-c1nc2ccccc2c(=O)n1OC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C23H17BrN2O5/c1-29-17-11-15(12-18(13-17)30-2)21-25-20-6-4-3-5-19(20)22(27)26(21)31-23(28)14-7-9-16(24)10-8-14/h3-13H,1-2H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
Phospholipase A2 (Homo sapiens (Human))	BDBM68008 (3-[(4-bromobenzoyl)oxy]-2-(3,5-dimethoxyphenyl)qui...) Show SMILES COc1cc(OC)cc(c1)-c1nc2ccccc2c(=O)n1OC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C23H17BrN2O5/c1-29-17-11-15(12-18(13-17)30-2)21-25-20-6-4-3-5-19(20)22(27)26(21)31-23(28)14-7-9-16(24)10-8-14/h3-13H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q26M35BC
					More data for this Ligand-Target Pair
cysteine protease ATG4B isoform a (Homo sapiens (Human))	BDBM68008 (3-[(4-bromobenzoyl)oxy]-2-(3,5-dimethoxyphenyl)qui...) Show SMILES COc1cc(OC)cc(c1)-c1nc2ccccc2c(=O)n1OC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C23H17BrN2O5/c1-29-17-11-15(12-18(13-17)30-2)21-25-20-6-4-3-5-19(20)22(27)26(21)31-23(28)14-7-9-16(24)10-8-14/h3-13H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2BZ64H1
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68008 (3-[(4-bromobenzoyl)oxy]-2-(3,5-dimethoxyphenyl)qui...) Show SMILES COc1cc(OC)cc(c1)-c1nc2ccccc2c(=O)n1OC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C23H17BrN2O5/c1-29-17-11-15(12-18(13-17)30-2)21-25-20-6-4-3-5-19(20)22(27)26(21)31-23(28)14-7-9-16(24)10-8-14/h3-13H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair