Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 451.1 BDBM83241

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-lactamase (Pseudomonas aeruginosa)	BDBM83241 ((4E)-4-[(2Z)-2-(5,7-dibromo-8-hydroxy-1H-quinolin-...) Show SMILES COc1cc(C=Cc2ccc3c(Br)cc(Br)c(O)c3n2)ccc1O |w:6.6| Show InChI InChI=1S/C18H13Br2NO3/c1-24-16-8-10(3-7-15(16)22)2-4-11-5-6-12-13(19)9-14(20)18(23)17(12)21-11/h2-9,22-23H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2G15ZB8
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM83241 ((4E)-4-[(2Z)-2-(5,7-dibromo-8-hydroxy-1H-quinolin-...) Show SMILES COc1cc(C=Cc2ccc3c(Br)cc(Br)c(O)c3n2)ccc1O |w:6.6| Show InChI InChI=1S/C18H13Br2NO3/c1-24-16-8-10(3-7-15(16)22)2-4-11-5-6-12-13(19)9-14(20)18(23)17(12)21-11/h2-9,22-23H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2KS6Q2P
					More data for this Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase (Staphylococcus aureus subsp. aureus N315)	BDBM83241 ((4E)-4-[(2Z)-2-(5,7-dibromo-8-hydroxy-1H-quinolin-...) Show SMILES COc1cc(C=Cc2ccc3c(Br)cc(Br)c(O)c3n2)ccc1O |w:6.6| Show InChI InChI=1S/C18H13Br2NO3/c1-24-16-8-10(3-7-15(16)22)2-4-11-5-6-12-13(19)9-14(20)18(23)17(12)21-11/h2-9,22-23H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BV7F7H
					More data for this Ligand-Target Pair