Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 430.2 BDBM62117Purchase

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

Found 1 hit 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
Neuropeptides B/W receptor type 1 (Homo sapiens (Human))	BDBM62117 (5-amino-1-(4-bromobenzyl)-N-piperonyl-triazole-4-c...) Show SMILES Nc1c(nnn1Cc1ccc(Br)cc1)C(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C18H16BrN5O3/c19-13-4-1-11(2-5-13)9-24-17(20)16(22-23-24)18(25)21-8-12-3-6-14-15(7-12)27-10-26-14/h1-7H,8-10,20H2,(H,21,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.38E+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 (2010) BindingDB Entry DOI: 10.7270/Q2WH2NF9
					More data for this Ligand-Target Pair