Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 349.4 BDBM58962Purchase

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)	BDBM58962 (Cyclopentyl-[2-(4-diethylamino-phenyl)-imidazo[1,2...) Show SMILES CCN(CC)c1ccc(cc1)-c1nc2cnccn2c1NC1CCCC1 Show InChI InChI=1S/C21H27N5/c1-3-25(4-2)18-11-9-16(10-12-18)20-21(23-17-7-5-6-8-17)26-14-13-22-15-19(26)24-20/h9-15,17,23H,3-8H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.29E+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))	BDBM58962 (Cyclopentyl-[2-(4-diethylamino-phenyl)-imidazo[1,2...) Show SMILES CCN(CC)c1ccc(cc1)-c1nc2cnccn2c1NC1CCCC1 Show InChI InChI=1S/C21H27N5/c1-3-25(4-2)18-11-9-16(10-12-18)20-21(23-17-7-5-6-8-17)26-14-13-22-15-19(26)24-20/h9-15,17,23H,3-8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.02E+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/Q2KS6Q2P
					More data for this Ligand-Target Pair
Large T antigen (Simian virus 40)	BDBM58962 (Cyclopentyl-[2-(4-diethylamino-phenyl)-imidazo[1,2...) Show SMILES CCN(CC)c1ccc(cc1)-c1nc2cnccn2c1NC1CCCC1 Show InChI InChI=1S/C21H27N5/c1-3-25(4-2)18-11-9-16(10-12-18)20-21(23-17-7-5-6-8-17)26-14-13-22-15-19(26)24-20/h9-15,17,23H,3-8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay					Assay Description Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2ZK5F47
					More data for this Ligand-Target Pair