Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 378.2 BDBM44401

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
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM44401 ((E)-3-amino-2-[2-[[5-(2-bromophenyl)-1H-1,2,4-tria...) Show SMILES CC(=N)C(C#N)C(=O)CSc1nnc([nH]1)-c1ccccc1Br Show InChI InChI=1S/C14H12BrN5OS/c1-8(17)10(6-16)12(21)7-22-14-18-13(19-20-14)9-4-2-3-5-11(9)15/h2-5,10,17H,7H2,1H3,(H,18,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2SX6BMJ
					More data for this Ligand-Target Pair