Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 359.3 BDBM83249

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

Found 2 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)	BDBM83249 (2-[2-(4-nitrophenyl)-5-phenyl-2-pyrazolin-3-yl]phe...) Show SMILES Oc1ccccc1C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:11| Show InChI InChI=1S/C21H17N3O3/c25-21-9-5-4-8-18(21)20-14-19(15-6-2-1-3-7-15)22-23(20)16-10-12-17(13-11-16)24(26)27/h1-13,20,25H,14H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.58E+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))	BDBM83249 (2-[2-(4-nitrophenyl)-5-phenyl-2-pyrazolin-3-yl]phe...) Show SMILES Oc1ccccc1C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:11| Show InChI InChI=1S/C21H17N3O3/c25-21-9-5-4-8-18(21)20-14-19(15-6-2-1-3-7-15)22-23(20)16-10-12-17(13-11-16)24(26)27/h1-13,20,25H,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.11E+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