BDBM38595 2-[(4-chloranylphenoxy)methyl]-3-methyl-quinazolin-4-one::2-[(4-chlorophenoxy)methyl]-3-methyl-4-quinazolinone::2-[(4-chlorophenoxy)methyl]-3-methyl-quinazolin-4-one::2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4(3H)-one::2-[(4-chlorophenoxy)methyl]-3-methylquinazolin-4-one::MLS000088505::SMR000024125::cid_583515

SMILES: Cn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O

InChI Key: InChIKey=DBGICQIDMMUZNS-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 38595   

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
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38595 (2-[(4-chloranylphenoxy)methyl]-3-methyl-quinazolin...) Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O Show InChI InChI=1S/C16H13ClN2O2/c1-19-15(10-21-12-8-6-11(17)7-9-12)18-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM38595 (2-[(4-chloranylphenoxy)methyl]-3-methyl-quinazolin...) Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O Show InChI InChI=1S/C16H13ClN2O2/c1-19-15(10-21-12-8-6-11(17)7-9-12)18-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2BC3WZZ
					More data for this Ligand-Target Pair
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38595 (2-[(4-chloranylphenoxy)methyl]-3-methyl-quinazolin...) Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O Show InChI InChI=1S/C16H13ClN2O2/c1-19-15(10-21-12-8-6-11(17)7-9-12)18-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	8.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q23X852V
					More data for this Ligand-Target Pair
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38595 (2-[(4-chloranylphenoxy)methyl]-3-methyl-quinazolin...) Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O Show InChI InChI=1S/C16H13ClN2O2/c1-19-15(10-21-12-8-6-11(17)7-9-12)18-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q27P8WSS
					More data for this Ligand-Target Pair